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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/sarfaraz2250gmail.co-86d3712c/inputs/seq.fa: 1
curr_seq: _CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUCGGGGGCUGGGGCCAGGGCGGCCUGGAAAGGGACCUGA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -162.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243228 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.198
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -260.847653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.847653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.847653 (E_RNA)
where:
Base-Base interactions energy: -134.677
where: short stacking energy: -134.677
Base-Backbone interact. energy: 0.263
local terms energy: -126.434052
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -239.521745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.521745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.521745 (E_RNA)
where:
Base-Base interactions energy: -121.519
where: short stacking energy: -111.263
Base-Backbone interact. energy: -0.115
local terms energy: -117.888267
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -21.641
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -238.640742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.640742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.640742 (E_RNA)
where:
Base-Base interactions energy: -117.709
where: short stacking energy: -99.004
Base-Backbone interact. energy: -0.030
local terms energy: -120.901340
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -219.970574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.970574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.970574 (E_RNA)
where:
Base-Base interactions energy: -106.155
where: short stacking energy: -105.091
Base-Backbone interact. energy: 0.979
local terms energy: -114.794214
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -229.664008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.664008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.664008 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -98.129
Base-Backbone interact. energy: -0.357
local terms energy: -113.802243
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -218.929032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929032 (E_RNA)
where:
Base-Base interactions energy: -125.697
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.613
local terms energy: -92.619672
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -168.004133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.004133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.004133 (E_RNA)
where:
Base-Base interactions energy: -77.443
where: short stacking energy: -73.355
Base-Backbone interact. energy: 0.446
local terms energy: -91.007490
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -11.057
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -167.047556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.047556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.047556 (E_RNA)
where:
Base-Base interactions energy: -65.988
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.182
local terms energy: -100.877455
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -6.583
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -173.911431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.911431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.911431 (E_RNA)
where:
Base-Base interactions energy: -77.466
where: short stacking energy: -77.466
Base-Backbone interact. energy: 0.613
local terms energy: -97.057617
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -16.068
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -160.297163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.297163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.297163 (E_RNA)
where:
Base-Base interactions energy: -7.569
where: short stacking energy: -7.569
Base-Backbone interact. energy: -0.000
local terms energy: -152.728335
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -33.083
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -272.112352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.112352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.112352 (E_RNA)
where:
Base-Base interactions energy: -159.542
where: short stacking energy: -119.026
Base-Backbone interact. energy: 0.488
local terms energy: -113.058086
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -273.747857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.747857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.747857 (E_RNA)
where:
Base-Base interactions energy: -143.229
where: short stacking energy: -102.204
Base-Backbone interact. energy: -0.216
local terms energy: -130.302530
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -261.826835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.826835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.826835 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -114.543
Base-Backbone interact. energy: -1.679
local terms energy: -116.542544
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -25.103
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -263.290196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.290196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.290196 (E_RNA)
where:
Base-Base interactions energy: -155.503
where: short stacking energy: -89.460
Base-Backbone interact. energy: -0.461
local terms energy: -107.326808
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -229.516386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.516386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.516386 (E_RNA)
where:
Base-Base interactions energy: -118.358
where: short stacking energy: -94.726
Base-Backbone interact. energy: -0.072
local terms energy: -111.086667
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -231.392073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.392073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.392073 (E_RNA)
where:
Base-Base interactions energy: -123.322
where: short stacking energy: -87.634
Base-Backbone interact. energy: -0.002
local terms energy: -108.067930
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -18.285
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -169.218761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.218761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.218761 (E_RNA)
where:
Base-Base interactions energy: -72.087
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.812
local terms energy: -96.320129
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -228.000650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.000650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.000650 (E_RNA)
where:
Base-Base interactions energy: -120.886
where: short stacking energy: -70.366
Base-Backbone interact. energy: -1.209
local terms energy: -105.905341
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -11.283
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -150.989403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.989403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.989403 (E_RNA)
where:
Base-Base interactions energy: -71.536
where: short stacking energy: -69.997
Base-Backbone interact. energy: -0.737
local terms energy: -78.717148
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -163.286575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.286575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.286575 (E_RNA)
where:
Base-Base interactions energy: -94.475
where: short stacking energy: -51.773
Base-Backbone interact. energy: 2.851
local terms energy: -71.662250
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: 4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -333.880673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.880673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.880673 (E_RNA)
where:
Base-Base interactions energy: -204.519
where: short stacking energy: -117.964
Base-Backbone interact. energy: -0.422
local terms energy: -128.939072
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -301.059320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.059320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.059320 (E_RNA)
where:
Base-Base interactions energy: -178.391
where: short stacking energy: -122.594
Base-Backbone interact. energy: -1.151
local terms energy: -121.516925
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -28.466
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: 4
Temperature: 1.000000
Total energy: -313.590583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.590583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.590583 (E_RNA)
where:
Base-Base interactions energy: -205.944
where: short stacking energy: -97.027
Base-Backbone interact. energy: -1.639
local terms energy: -106.007575
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -241.062252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.062252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.062252 (E_RNA)
where:
Base-Base interactions energy: -127.891
where: short stacking energy: -105.205
Base-Backbone interact. energy: -1.337
local terms energy: -111.833548
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -221.315926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.315926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.315926 (E_RNA)
where:
Base-Base interactions energy: -103.249
where: short stacking energy: -89.231
Base-Backbone interact. energy: -0.345
local terms energy: -117.721415
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -14.522
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -264.756523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.756523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.756523 (E_RNA)
where:
Base-Base interactions energy: -174.120
where: short stacking energy: -88.657
Base-Backbone interact. energy: -0.848
local terms energy: -89.788560
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -5.092
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -219.080186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.080186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.080186 (E_RNA)
where:
Base-Base interactions energy: -135.854
where: short stacking energy: -73.154
Base-Backbone interact. energy: 1.590
local terms energy: -84.816167
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -162.002678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.002678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.002678 (E_RNA)
where:
Base-Base interactions energy: -68.189
where: short stacking energy: -52.556
Base-Backbone interact. energy: 3.246
local terms energy: -97.059879
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -27.298
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -6.480
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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -190.916614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.916614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.916614 (E_RNA)
where:
Base-Base interactions energy: -108.955
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.020
local terms energy: -81.941562
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -173.819442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.819442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.819442 (E_RNA)
where:
Base-Base interactions energy: -95.128
where: short stacking energy: -54.786
Base-Backbone interact. energy: 0.120
local terms energy: -78.811251
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -360.933110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.933110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.933110 (E_RNA)
where:
Base-Base interactions energy: -226.680
where: short stacking energy: -107.444
Base-Backbone interact. energy: -1.387
local terms energy: -132.866198
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -32.939
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -358.238678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.238678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.238678 (E_RNA)
where:
Base-Base interactions energy: -242.769
where: short stacking energy: -116.095
Base-Backbone interact. energy: -0.430
local terms energy: -115.039559
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -295.408542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.408542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.408542 (E_RNA)
where:
Base-Base interactions energy: -169.810
where: short stacking energy: -118.925
Base-Backbone interact. energy: -0.600
local terms energy: -124.998525
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -31.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -297.382984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.382984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.382984 (E_RNA)
where:
Base-Base interactions energy: -178.737
where: short stacking energy: -103.682
Base-Backbone interact. energy: -0.754
local terms energy: -117.892353
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -22.717
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -237.197976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.197976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.197976 (E_RNA)
where:
Base-Base interactions energy: -134.961
where: short stacking energy: -84.424
Base-Backbone interact. energy: -0.252
local terms energy: -101.985805
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -12.034
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -264.190686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.190686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.190686 (E_RNA)
where:
Base-Base interactions energy: -154.629
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.133
local terms energy: -109.428310
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -224.663690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.663690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.663690 (E_RNA)
where:
Base-Base interactions energy: -141.588
where: short stacking energy: -80.002
Base-Backbone interact. energy: 5.502
local terms energy: -88.577476
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -173.240717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.240717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.240717 (E_RNA)
where:
Base-Base interactions energy: -81.050
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.436
local terms energy: -91.755210
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -137.399715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.399715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.399715 (E_RNA)
where:
Base-Base interactions energy: -47.227
where: short stacking energy: -40.964
Base-Backbone interact. energy: -0.156
local terms energy: -90.016389
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -154.268870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.268870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.268870 (E_RNA)
where:
Base-Base interactions energy: -66.570
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.319
local terms energy: -87.379444
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -391.885135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.885135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.885135 (E_RNA)
where:
Base-Base interactions energy: -260.166
where: short stacking energy: -128.086
Base-Backbone interact. energy: -1.374
local terms energy: -130.345187
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -356.285655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.285655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.285655 (E_RNA)
where:
Base-Base interactions energy: -235.279
where: short stacking energy: -119.364
Base-Backbone interact. energy: -0.963
local terms energy: -120.043960
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -27.854
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -28.773
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: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -352.921392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.921392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.921392 (E_RNA)
where:
Base-Base interactions energy: -226.511
where: short stacking energy: -112.950
Base-Backbone interact. energy: -1.916
local terms energy: -124.494784
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -327.703018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.703018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.703018 (E_RNA)
where:
Base-Base interactions energy: -204.254
where: short stacking energy: -111.603
Base-Backbone interact. energy: -1.238
local terms energy: -122.211692
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -26.419
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -29.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -267.966353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.966353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.966353 (E_RNA)
where:
Base-Base interactions energy: -163.223
where: short stacking energy: -86.013
Base-Backbone interact. energy: -0.308
local terms energy: -104.435053
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -228.402054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.402054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.402054 (E_RNA)
where:
Base-Base interactions energy: -121.929
where: short stacking energy: -86.769
Base-Backbone interact. energy: 2.587
local terms energy: -109.060337
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -15.676
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: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -223.938879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.938879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.938879 (E_RNA)
where:
Base-Base interactions energy: -138.286
where: short stacking energy: -88.941
Base-Backbone interact. energy: -1.755
local terms energy: -83.897500
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.510
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: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -164.529313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.529313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.529313 (E_RNA)
where:
Base-Base interactions energy: -95.820
where: short stacking energy: -48.571
Base-Backbone interact. energy: -1.366
local terms energy: -67.343131
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -10.433
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -156.176403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.176403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.176403 (E_RNA)
where:
Base-Base interactions energy: -68.405
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.258
local terms energy: -87.513129
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -12.372
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: 6
Temperature: 1.350000
Total energy: -208.611643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.611643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611643 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -62.577
Base-Backbone interact. energy: 1.670
local terms energy: -84.757239
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -415.316372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.316372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.316372 (E_RNA)
where:
Base-Base interactions energy: -279.846
where: short stacking energy: -130.618
Base-Backbone interact. energy: -1.882
local terms energy: -133.588438
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -28.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -372.278396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.278396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.278396 (E_RNA)
where:
Base-Base interactions energy: -251.102
where: short stacking energy: -111.624
Base-Backbone interact. energy: -0.419
local terms energy: -120.757754
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -25.250
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -337.866759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.866759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.866759 (E_RNA)
where:
Base-Base interactions energy: -220.935
where: short stacking energy: -110.150
Base-Backbone interact. energy: -0.855
local terms energy: -116.077080
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -358.627282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.627282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.627282 (E_RNA)
where:
Base-Base interactions energy: -236.511
where: short stacking energy: -101.260
Base-Backbone interact. energy: -0.573
local terms energy: -121.543320
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -361.935918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.935918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.935918 (E_RNA)
where:
Base-Base interactions energy: -244.886
where: short stacking energy: -117.679
Base-Backbone interact. energy: -1.214
local terms energy: -115.835276
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -29.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -287.165398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.165398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.165398 (E_RNA)
where:
Base-Base interactions energy: -176.861
where: short stacking energy: -80.747
Base-Backbone interact. energy: -1.025
local terms energy: -109.279823
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -216.170567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170567 (E_RNA)
where:
Base-Base interactions energy: -120.827
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.332
local terms energy: -95.011742
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -154.020438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.020438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.020438 (E_RNA)
where:
Base-Base interactions energy: -60.986
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.629
local terms energy: -92.405694
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -158.858528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.858528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.858528 (E_RNA)
where:
Base-Base interactions energy: -70.502
where: short stacking energy: -66.731
Base-Backbone interact. energy: -0.358
local terms energy: -87.998244
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -14.606
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: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -242.795383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.795383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.795383 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.895
local terms energy: -100.254969
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -409.044298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.044298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.044298 (E_RNA)
where:
Base-Base interactions energy: -279.269
where: short stacking energy: -123.837
Base-Backbone interact. energy: -1.727
local terms energy: -128.049053
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -29.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -383.970316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.970316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.970316 (E_RNA)
where:
Base-Base interactions energy: -245.427
where: short stacking energy: -124.811
Base-Backbone interact. energy: -1.034
local terms energy: -137.508808
where:
bonds (distance) C4'-P energy: -28.502
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -29.662
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -359.792248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.792248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.792248 (E_RNA)
where:
Base-Base interactions energy: -231.464
where: short stacking energy: -104.098
Base-Backbone interact. energy: -0.554
local terms energy: -127.774308
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -31.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -328.127232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.127232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.127232 (E_RNA)
where:
Base-Base interactions energy: -218.135
where: short stacking energy: -101.110
Base-Backbone interact. energy: -0.768
local terms energy: -109.224730
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -27.191
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -345.566768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.566768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.566768 (E_RNA)
where:
Base-Base interactions energy: -233.106
where: short stacking energy: -100.519
Base-Backbone interact. energy: -0.481
local terms energy: -111.979788
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -281.857243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.857243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.857243 (E_RNA)
where:
Base-Base interactions energy: -179.404
where: short stacking energy: -82.649
Base-Backbone interact. energy: -0.347
local terms energy: -102.106294
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -165.738758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.738758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.738758 (E_RNA)
where:
Base-Base interactions energy: -74.401
where: short stacking energy: -65.532
Base-Backbone interact. energy: -0.176
local terms energy: -91.161038
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -202.582540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.582540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.582540 (E_RNA)
where:
Base-Base interactions energy: -105.713
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.634
local terms energy: -96.235216
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -30.550
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -12.570
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -299.033138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.033138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.033138 (E_RNA)
where:
Base-Base interactions energy: -206.420
where: short stacking energy: -89.468
Base-Backbone interact. energy: -0.384
local terms energy: -92.229534
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -131.582097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.582097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.582097 (E_RNA)
where:
Base-Base interactions energy: -52.279
where: short stacking energy: -47.392
Base-Backbone interact. energy: -0.221
local terms energy: -79.081618
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: 0.035
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: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -427.942795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.942795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.942795 (E_RNA)
where:
Base-Base interactions energy: -290.252
where: short stacking energy: -121.968
Base-Backbone interact. energy: -0.304
local terms energy: -137.387108
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -27.795
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: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -394.260901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.260901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.260901 (E_RNA)
where:
Base-Base interactions energy: -269.169
where: short stacking energy: -132.185
Base-Backbone interact. energy: -1.112
local terms energy: -123.979322
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -338.141931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.141931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.141931 (E_RNA)
where:
Base-Base interactions energy: -236.402
where: short stacking energy: -114.570
Base-Backbone interact. energy: 0.247
local terms energy: -101.987195
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -8.987
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: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -329.226986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.226986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.226986 (E_RNA)
where:
Base-Base interactions energy: -213.880
where: short stacking energy: -107.469
Base-Backbone interact. energy: -0.682
local terms energy: -114.665446
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -19.327
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -307.782823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.782823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.782823 (E_RNA)
where:
Base-Base interactions energy: -195.212
where: short stacking energy: -86.659
Base-Backbone interact. energy: -0.098
local terms energy: -112.473220
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -31.248
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -293.001460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.001460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.001460 (E_RNA)
where:
Base-Base interactions energy: -187.354
where: short stacking energy: -85.795
Base-Backbone interact. energy: -0.842
local terms energy: -104.805625
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -164.378750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.378750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.378750 (E_RNA)
where:
Base-Base interactions energy: -77.139
where: short stacking energy: -65.713
Base-Backbone interact. energy: 0.239
local terms energy: -87.478437
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -304.056858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.056858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.056858 (E_RNA)
where:
Base-Base interactions energy: -210.292
where: short stacking energy: -96.399
Base-Backbone interact. energy: -0.598
local terms energy: -93.166839
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -200.556653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.556653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.556653 (E_RNA)
where:
Base-Base interactions energy: -106.625
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.238
local terms energy: -93.693077
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -147.051537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.051537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.051537 (E_RNA)
where:
Base-Base interactions energy: -77.530
where: short stacking energy: -45.634
Base-Backbone interact. energy: -0.339
local terms energy: -69.182183
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: 3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -391.817725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.817725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.817725 (E_RNA)
where:
Base-Base interactions energy: -253.798
where: short stacking energy: -133.229
Base-Backbone interact. energy: -0.472
local terms energy: -137.547666
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -32.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -413.820244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.820244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.820244 (E_RNA)
where:
Base-Base interactions energy: -283.700
where: short stacking energy: -123.405
Base-Backbone interact. energy: 0.877
local terms energy: -130.997148
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -23.032
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: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -334.923095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.923095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.923095 (E_RNA)
where:
Base-Base interactions energy: -214.531
where: short stacking energy: -108.644
Base-Backbone interact. energy: -0.148
local terms energy: -120.244453
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -340.755028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.755028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.755028 (E_RNA)
where:
Base-Base interactions energy: -222.348
where: short stacking energy: -130.827
Base-Backbone interact. energy: 0.042
local terms energy: -118.449074
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -342.569217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.569217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.569217 (E_RNA)
where:
Base-Base interactions energy: -236.378
where: short stacking energy: -109.926
Base-Backbone interact. energy: -1.627
local terms energy: -104.564106
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -23.826
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: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -289.085846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.085846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.085846 (E_RNA)
where:
Base-Base interactions energy: -174.616
where: short stacking energy: -90.917
Base-Backbone interact. energy: -0.523
local terms energy: -113.947517
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -278.172241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.172241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.172241 (E_RNA)
where:
Base-Base interactions energy: -178.241
where: short stacking energy: -92.171
Base-Backbone interact. energy: -1.036
local terms energy: -98.895245
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -14.264
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: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -207.170150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.170150 (E_RNA)
where:
Base-Base interactions energy: -118.641
where: short stacking energy: -65.741
Base-Backbone interact. energy: 3.071
local terms energy: -91.599993
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -200.392779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392779 (E_RNA)
where:
Base-Base interactions energy: -107.246
where: short stacking energy: -66.667
Base-Backbone interact. energy: 0.023
local terms energy: -93.169267
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -11.137
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -124.429588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.429588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.429588 (E_RNA)
where:
Base-Base interactions energy: -49.615
where: short stacking energy: -41.059
Base-Backbone interact. energy: -0.624
local terms energy: -74.189782
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: 3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -404.872991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.872991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.872991 (E_RNA)
where:
Base-Base interactions energy: -275.645
where: short stacking energy: -120.083
Base-Backbone interact. energy: -0.655
local terms energy: -128.572469
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -413.662442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.662442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.662442 (E_RNA)
where:
Base-Base interactions energy: -280.826
where: short stacking energy: -122.314
Base-Backbone interact. energy: -1.030
local terms energy: -131.806014
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -24.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -342.683737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.683737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.683737 (E_RNA)
where:
Base-Base interactions energy: -211.773
where: short stacking energy: -102.615
Base-Backbone interact. energy: -0.458
local terms energy: -130.452378
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -31.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -370.741795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.741795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.741795 (E_RNA)
where:
Base-Base interactions energy: -251.045
where: short stacking energy: -105.446
Base-Backbone interact. energy: -0.883
local terms energy: -118.813787
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -349.249384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.249384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.249384 (E_RNA)
where:
Base-Base interactions energy: -229.458
where: short stacking energy: -103.605
Base-Backbone interact. energy: -0.365
local terms energy: -119.426697
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -308.221834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.221834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.221834 (E_RNA)
where:
Base-Base interactions energy: -181.515
where: short stacking energy: -109.179
Base-Backbone interact. energy: -2.321
local terms energy: -124.386252
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -20.357
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: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -228.989140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.989140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.989140 (E_RNA)
where:
Base-Base interactions energy: -131.421
where: short stacking energy: -71.962
Base-Backbone interact. energy: -0.207
local terms energy: -97.361014
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -178.128821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.128821 (E_RNA)
where:
Base-Base interactions energy: -89.065
where: short stacking energy: -53.245
Base-Backbone interact. energy: -0.191
local terms energy: -88.872564
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -186.281225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.281225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.281225 (E_RNA)
where:
Base-Base interactions energy: -98.469
where: short stacking energy: -52.998
Base-Backbone interact. energy: 0.031
local terms energy: -87.843718
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -15.208
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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -176.820962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.820962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.820962 (E_RNA)
where:
Base-Base interactions energy: -88.160
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.487
local terms energy: -88.173962
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -26.889
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -11.643
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: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -431.506512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.506512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.506512 (E_RNA)
where:
Base-Base interactions energy: -291.784
where: short stacking energy: -131.613
Base-Backbone interact. energy: -0.726
local terms energy: -138.996617
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -27.609
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -391.307923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.307923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.307923 (E_RNA)
where:
Base-Base interactions energy: -273.427
where: short stacking energy: -117.235
Base-Backbone interact. energy: -0.519
local terms energy: -117.361808
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -378.732218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.732218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.732218 (E_RNA)
where:
Base-Base interactions energy: -249.394
where: short stacking energy: -120.464
Base-Backbone interact. energy: -1.490
local terms energy: -127.848238
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -340.323582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.323582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.323582 (E_RNA)
where:
Base-Base interactions energy: -206.272
where: short stacking energy: -109.440
Base-Backbone interact. energy: -0.245
local terms energy: -133.807141
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -28.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -347.166612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.166612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.166612 (E_RNA)
where:
Base-Base interactions energy: -235.081
where: short stacking energy: -103.620
Base-Backbone interact. energy: -1.074
local terms energy: -111.011480
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -26.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -298.977520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.977520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.977520 (E_RNA)
where:
Base-Base interactions energy: -192.210
where: short stacking energy: -108.011
Base-Backbone interact. energy: 0.398
local terms energy: -107.165835
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -178.679331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.679331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.679331 (E_RNA)
where:
Base-Base interactions energy: -91.674
where: short stacking energy: -78.995
Base-Backbone interact. energy: -0.838
local terms energy: -86.166409
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -205.491369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.491369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.491369 (E_RNA)
where:
Base-Base interactions energy: -110.862
where: short stacking energy: -66.313
Base-Backbone interact. energy: -0.385
local terms energy: -94.244722
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -156.951338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.951338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.951338 (E_RNA)
where:
Base-Base interactions energy: -80.386
where: short stacking energy: -53.328
Base-Backbone interact. energy: -1.539
local terms energy: -75.025691
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -219.257003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.257003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.257003 (E_RNA)
where:
Base-Base interactions energy: -137.298
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.533
local terms energy: -81.426125
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -416.675050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.675050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.675050 (E_RNA)
where:
Base-Base interactions energy: -284.149
where: short stacking energy: -126.891
Base-Backbone interact. energy: -0.868
local terms energy: -131.658365
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -27.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -440.514047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.514047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.514047 (E_RNA)
where:
Base-Base interactions energy: -310.960
where: short stacking energy: -132.854
Base-Backbone interact. energy: 1.269
local terms energy: -130.822123
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -364.082710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.082710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.082710 (E_RNA)
where:
Base-Base interactions energy: -244.278
where: short stacking energy: -101.776
Base-Backbone interact. energy: -0.197
local terms energy: -119.607471
where:
bonds (distance) C4'-P energy: -29.780
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -17.248
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: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -366.411413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.411413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.411413 (E_RNA)
where:
Base-Base interactions energy: -243.350
where: short stacking energy: -110.586
Base-Backbone interact. energy: 1.108
local terms energy: -124.169754
where:
bonds (distance) C4'-P energy: -25.329
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -364.738204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.738204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.738204 (E_RNA)
where:
Base-Base interactions energy: -235.804
where: short stacking energy: -99.925
Base-Backbone interact. energy: -0.355
local terms energy: -128.578727
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -27.669
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: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -302.454690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.454690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.454690 (E_RNA)
where:
Base-Base interactions energy: -193.648
where: short stacking energy: -108.202
Base-Backbone interact. energy: -1.238
local terms energy: -107.568209
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -25.168
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: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -186.507301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.507301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.507301 (E_RNA)
where:
Base-Base interactions energy: -88.270
where: short stacking energy: -82.943
Base-Backbone interact. energy: -0.165
local terms energy: -98.072515
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -3.146
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: 8, replica: 3
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -193.287602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.287602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.287602 (E_RNA)
where:
Base-Base interactions energy: -111.772
where: short stacking energy: -82.932
Base-Backbone interact. energy: 0.375
local terms energy: -81.890981
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -154.056787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.056787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.056787 (E_RNA)
where:
Base-Base interactions energy: -72.917
where: short stacking energy: -52.473
Base-Backbone interact. energy: -0.198
local terms energy: -80.941074
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: 3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -135.575538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.575538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.575538 (E_RNA)
where:
Base-Base interactions energy: -62.181
where: short stacking energy: -44.011
Base-Backbone interact. energy: -0.906
local terms energy: -72.489068
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.416
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: 1, replica: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -438.771836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.771836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.771836 (E_RNA)
where:
Base-Base interactions energy: -305.275
where: short stacking energy: -132.992
Base-Backbone interact. energy: -0.327
local terms energy: -133.169776
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -429.727786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.727786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.727786 (E_RNA)
where:
Base-Base interactions energy: -292.570
where: short stacking energy: -123.067
Base-Backbone interact. energy: -1.464
local terms energy: -135.693122
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -33.116
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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -376.195627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.195627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.195627 (E_RNA)
where:
Base-Base interactions energy: -250.236
where: short stacking energy: -97.625
Base-Backbone interact. energy: -0.460
local terms energy: -125.500095
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -367.913405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.913405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.913405 (E_RNA)
where:
Base-Base interactions energy: -248.744
where: short stacking energy: -93.447
Base-Backbone interact. energy: -0.111
local terms energy: -119.058465
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -371.451824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.451824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.451824 (E_RNA)
where:
Base-Base interactions energy: -254.491
where: short stacking energy: -104.902
Base-Backbone interact. energy: -0.352
local terms energy: -116.608696
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -351.903084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.903084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.903084 (E_RNA)
where:
Base-Base interactions energy: -240.562
where: short stacking energy: -119.294
Base-Backbone interact. energy: 2.488
local terms energy: -113.829690
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -194.102618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.102618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.102618 (E_RNA)
where:
Base-Base interactions energy: -114.024
where: short stacking energy: -76.392
Base-Backbone interact. energy: -0.390
local terms energy: -79.688689
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -4.074
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -196.373832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.373832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.373832 (E_RNA)
where:
Base-Base interactions energy: -112.970
where: short stacking energy: -84.075
Base-Backbone interact. energy: 2.233
local terms energy: -85.637263
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -148.152594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.152594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.152594 (E_RNA)
where:
Base-Base interactions energy: -81.785
where: short stacking energy: -53.633
Base-Backbone interact. energy: -0.723
local terms energy: -65.644981
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -3.034
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: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -147.978656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.978656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.978656 (E_RNA)
where:
Base-Base interactions energy: -67.814
where: short stacking energy: -61.740
Base-Backbone interact. energy: 0.017
local terms energy: -80.182069
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -447.383709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.383709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.383709 (E_RNA)
where:
Base-Base interactions energy: -310.368
where: short stacking energy: -143.387
Base-Backbone interact. energy: -0.296
local terms energy: -136.719689
where:
bonds (distance) C4'-P energy: -26.475
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -34.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -433.151777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.151777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.151777 (E_RNA)
where:
Base-Base interactions energy: -296.919
where: short stacking energy: -129.744
Base-Backbone interact. energy: -3.072
local terms energy: -133.161608
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -31.586
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: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -394.842386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.842386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.842386 (E_RNA)
where:
Base-Base interactions energy: -266.846
where: short stacking energy: -106.302
Base-Backbone interact. energy: -1.277
local terms energy: -126.719648
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -31.358
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: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -394.196635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.196635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.196635 (E_RNA)
where:
Base-Base interactions energy: -271.439
where: short stacking energy: -116.981
Base-Backbone interact. energy: -0.849
local terms energy: -121.908648
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -338.318756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.318756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.318756 (E_RNA)
where:
Base-Base interactions energy: -224.333
where: short stacking energy: -106.396
Base-Backbone interact. energy: -0.723
local terms energy: -113.262517
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -27.618
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -333.627559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.627559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.627559 (E_RNA)
where:
Base-Base interactions energy: -217.353
where: short stacking energy: -108.507
Base-Backbone interact. energy: -0.258
local terms energy: -116.016865
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -25.807
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: 15
Temperature: 1.200000
Total energy: -252.853676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.853676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.853676 (E_RNA)
where:
Base-Base interactions energy: -148.551
where: short stacking energy: -82.730
Base-Backbone interact. energy: 1.314
local terms energy: -105.616171
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -167.040385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.040385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.040385 (E_RNA)
where:
Base-Base interactions energy: -75.104
where: short stacking energy: -46.417
Base-Backbone interact. energy: -0.197
local terms energy: -91.739584
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -13.941
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: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -177.541609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.541609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.541609 (E_RNA)
where:
Base-Base interactions energy: -86.779
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.133
local terms energy: -90.629283
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -17.385
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: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -151.027453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.027453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.027453 (E_RNA)
where:
Base-Base interactions energy: -62.255
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.254
local terms energy: -88.518963
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -3.796
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: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -465.262577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.262577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.262577 (E_RNA)
where:
Base-Base interactions energy: -325.125
where: short stacking energy: -153.533
Base-Backbone interact. energy: 1.287
local terms energy: -141.424386
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -37.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -430.429574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.429574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.429574 (E_RNA)
where:
Base-Base interactions energy: -313.466
where: short stacking energy: -124.871
Base-Backbone interact. energy: 1.394
local terms energy: -118.357481
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -417.220103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.220103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.220103 (E_RNA)
where:
Base-Base interactions energy: -283.351
where: short stacking energy: -119.603
Base-Backbone interact. energy: -2.816
local terms energy: -131.053084
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -417.108172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.108172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.108172 (E_RNA)
where:
Base-Base interactions energy: -287.426
where: short stacking energy: -123.723
Base-Backbone interact. energy: -0.663
local terms energy: -129.019670
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -330.595127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.595127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.595127 (E_RNA)
where:
Base-Base interactions energy: -224.635
where: short stacking energy: -103.915
Base-Backbone interact. energy: -0.765
local terms energy: -105.195069
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -296.596718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.596718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.596718 (E_RNA)
where:
Base-Base interactions energy: -192.555
where: short stacking energy: -92.163
Base-Backbone interact. energy: -0.469
local terms energy: -103.572596
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -24.367
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -262.986299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.986299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.986299 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -81.626
Base-Backbone interact. energy: 1.923
local terms energy: -110.331296
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -162.970099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.970099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.970099 (E_RNA)
where:
Base-Base interactions energy: -78.337
where: short stacking energy: -59.789
Base-Backbone interact. energy: 1.132
local terms energy: -85.764992
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -29.537
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -153.531366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.531366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.531366 (E_RNA)
where:
Base-Base interactions energy: -67.232
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.834
local terms energy: -85.465479
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -135.963549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.963549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.963549 (E_RNA)
where:
Base-Base interactions energy: -54.547
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.536
local terms energy: -80.880256
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -12.910
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: 1, replica: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -454.636911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.636911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.636911 (E_RNA)
where:
Base-Base interactions energy: -318.212
where: short stacking energy: -151.526
Base-Backbone interact. energy: 1.282
local terms energy: -137.707242
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -35.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -429.983558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.983558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.983558 (E_RNA)
where:
Base-Base interactions energy: -293.881
where: short stacking energy: -124.556
Base-Backbone interact. energy: -2.774
local terms energy: -133.328651
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -34.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -413.357455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.357455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.357455 (E_RNA)
where:
Base-Base interactions energy: -294.269
where: short stacking energy: -116.505
Base-Backbone interact. energy: 0.459
local terms energy: -119.547355
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -26.792
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -409.904891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.904891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.904891 (E_RNA)
where:
Base-Base interactions energy: -279.352
where: short stacking energy: -121.914
Base-Backbone interact. energy: 1.420
local terms energy: -131.972664
where:
bonds (distance) C4'-P energy: -26.915
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -27.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -349.230474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.230474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.230474 (E_RNA)
where:
Base-Base interactions energy: -233.751
where: short stacking energy: -115.163
Base-Backbone interact. energy: -0.113
local terms energy: -115.367459
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -275.172711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.172711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.172711 (E_RNA)
where:
Base-Base interactions energy: -165.289
where: short stacking energy: -97.937
Base-Backbone interact. energy: 0.437
local terms energy: -110.320565
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -23.720
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: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -268.636915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.636915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.636915 (E_RNA)
where:
Base-Base interactions energy: -165.950
where: short stacking energy: -79.751
Base-Backbone interact. energy: -1.909
local terms energy: -100.777510
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -21.108
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -149.484141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.484141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.484141 (E_RNA)
where:
Base-Base interactions energy: -64.650
where: short stacking energy: -55.977
Base-Backbone interact. energy: 0.560
local terms energy: -85.394204
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -146.456836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.456836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.456836 (E_RNA)
where:
Base-Base interactions energy: -58.492
where: short stacking energy: -58.492
Base-Backbone interact. energy: 1.628
local terms energy: -89.592780
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -18.017
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: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -150.774557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.774557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.774557 (E_RNA)
where:
Base-Base interactions energy: -58.894
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.801
local terms energy: -91.078906
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -456.162446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.162446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.162446 (E_RNA)
where:
Base-Base interactions energy: -318.769
where: short stacking energy: -147.584
Base-Backbone interact. energy: 0.139
local terms energy: -137.532712
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -36.882
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: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -431.143965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.143965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.143965 (E_RNA)
where:
Base-Base interactions energy: -301.021
where: short stacking energy: -132.312
Base-Backbone interact. energy: -0.037
local terms energy: -130.086377
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -31.835
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: 18
Temperature: 1.000000
Total energy: -437.473545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.473545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.473545 (E_RNA)
where:
Base-Base interactions energy: -306.916
where: short stacking energy: -132.307
Base-Backbone interact. energy: -0.410
local terms energy: -130.147569
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -30.644
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: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -419.455245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.455245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.455245 (E_RNA)
where:
Base-Base interactions energy: -301.545
where: short stacking energy: -121.497
Base-Backbone interact. energy: -1.265
local terms energy: -116.645229
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -351.770042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.770042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.770042 (E_RNA)
where:
Base-Base interactions energy: -216.671
where: short stacking energy: -105.296
Base-Backbone interact. energy: -1.037
local terms energy: -134.061400
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -29.578
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: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -276.983815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.983815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.983815 (E_RNA)
where:
Base-Base interactions energy: -169.157
where: short stacking energy: -103.109
Base-Backbone interact. energy: -1.564
local terms energy: -106.262781
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -254.726335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.726335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.726335 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -79.723
Base-Backbone interact. energy: -1.149
local terms energy: -102.407518
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -12.703
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: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -171.601853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.601853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.601853 (E_RNA)
where:
Base-Base interactions energy: -76.477
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.180
local terms energy: -94.945261
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -14.960
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: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -183.761997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.761997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.761997 (E_RNA)
where:
Base-Base interactions energy: -112.004
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.631
local terms energy: -71.126541
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -10.103
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: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -210.019053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019053 (E_RNA)
where:
Base-Base interactions energy: -127.609
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.614
local terms energy: -81.796002
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -6.642
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: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -461.698989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.698989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.698989 (E_RNA)
where:
Base-Base interactions energy: -327.701
where: short stacking energy: -146.121
Base-Backbone interact. energy: 0.450
local terms energy: -134.448447
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -32.021
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -35.570
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: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -443.232385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.232385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.232385 (E_RNA)
where:
Base-Base interactions energy: -310.676
where: short stacking energy: -128.107
Base-Backbone interact. energy: -0.679
local terms energy: -131.877055
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -35.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -456.646681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.646681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.646681 (E_RNA)
where:
Base-Base interactions energy: -326.071
where: short stacking energy: -144.372
Base-Backbone interact. energy: -1.607
local terms energy: -128.968974
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -31.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -414.558536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.558536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.558536 (E_RNA)
where:
Base-Base interactions energy: -294.413
where: short stacking energy: -111.073
Base-Backbone interact. energy: -0.078
local terms energy: -120.067086
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -20.173
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: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -346.558919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.558919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.558919 (E_RNA)
where:
Base-Base interactions energy: -220.402
where: short stacking energy: -113.549
Base-Backbone interact. energy: -0.031
local terms energy: -126.126348
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -27.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -276.442733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.442733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.442733 (E_RNA)
where:
Base-Base interactions energy: -168.414
where: short stacking energy: -98.659
Base-Backbone interact. energy: -0.312
local terms energy: -107.716591
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -248.580573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.580573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.580573 (E_RNA)
where:
Base-Base interactions energy: -142.950
where: short stacking energy: -70.892
Base-Backbone interact. energy: -2.199
local terms energy: -103.431849
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -148.683595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.683595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.683595 (E_RNA)
where:
Base-Base interactions energy: -58.013
where: short stacking energy: -53.983
Base-Backbone interact. energy: 3.081
local terms energy: -93.751397
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -149.242083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.242083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.242083 (E_RNA)
where:
Base-Base interactions energy: -53.696
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.166
local terms energy: -95.379998
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -231.757548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.757548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.757548 (E_RNA)
where:
Base-Base interactions energy: -145.997
where: short stacking energy: -62.603
Base-Backbone interact. energy: 0.730
local terms energy: -86.490608
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -6.743
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: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -452.935848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.935848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.935848 (E_RNA)
where:
Base-Base interactions energy: -316.373
where: short stacking energy: -146.315
Base-Backbone interact. energy: -0.434
local terms energy: -136.128659
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -29.822
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -35.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -428.172104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.172104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.172104 (E_RNA)
where:
Base-Base interactions energy: -293.766
where: short stacking energy: -129.307
Base-Backbone interact. energy: -1.446
local terms energy: -132.960207
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -30.578
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -447.692529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.692529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.692529 (E_RNA)
where:
Base-Base interactions energy: -310.610
where: short stacking energy: -137.379
Base-Backbone interact. energy: -2.391
local terms energy: -134.692192
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -414.799475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.799475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.799475 (E_RNA)
where:
Base-Base interactions energy: -296.268
where: short stacking energy: -113.965
Base-Backbone interact. energy: -1.059
local terms energy: -117.472452
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -353.359325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.359325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.359325 (E_RNA)
where:
Base-Base interactions energy: -223.108
where: short stacking energy: -113.113
Base-Backbone interact. energy: -0.025
local terms energy: -130.226030
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -33.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -322.642553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.642553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.642553 (E_RNA)
where:
Base-Base interactions energy: -210.039
where: short stacking energy: -109.683
Base-Backbone interact. energy: -0.141
local terms energy: -112.462059
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -15.282
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: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -261.630582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.630582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.630582 (E_RNA)
where:
Base-Base interactions energy: -154.289
where: short stacking energy: -92.166
Base-Backbone interact. energy: 0.676
local terms energy: -108.017959
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -169.511357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.511357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.511357 (E_RNA)
where:
Base-Base interactions energy: -73.973
where: short stacking energy: -73.973
Base-Backbone interact. energy: -0.208
local terms energy: -95.330818
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -13.380
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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -289.395342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.395342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.395342 (E_RNA)
where:
Base-Base interactions energy: -188.805
where: short stacking energy: -91.879
Base-Backbone interact. energy: -0.846
local terms energy: -99.745209
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -143.361151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.361151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.361151 (E_RNA)
where:
Base-Base interactions energy: -46.911
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.168
local terms energy: -96.282397
where:
bonds (distance) C4'-P energy: -28.521
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -5.268
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: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -458.224312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.224312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.224312 (E_RNA)
where:
Base-Base interactions energy: -321.737
where: short stacking energy: -141.123
Base-Backbone interact. energy: 0.034
local terms energy: -136.521922
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -35.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -433.519588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.519588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.519588 (E_RNA)
where:
Base-Base interactions energy: -291.662
where: short stacking energy: -134.799
Base-Backbone interact. energy: -0.051
local terms energy: -141.806965
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -425.913650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.913650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.913650 (E_RNA)
where:
Base-Base interactions energy: -302.593
where: short stacking energy: -127.448
Base-Backbone interact. energy: -1.451
local terms energy: -121.869588
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -29.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -427.425731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.425731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.425731 (E_RNA)
where:
Base-Base interactions energy: -303.388
where: short stacking energy: -136.031
Base-Backbone interact. energy: -1.781
local terms energy: -122.257217
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -31.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -345.957922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.957922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.957922 (E_RNA)
where:
Base-Base interactions energy: -212.278
where: short stacking energy: -111.746
Base-Backbone interact. energy: -0.505
local terms energy: -133.174607
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -299.945276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.945276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.945276 (E_RNA)
where:
Base-Base interactions energy: -194.226
where: short stacking energy: -87.978
Base-Backbone interact. energy: -0.416
local terms energy: -105.303486
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -266.476663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.476663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.476663 (E_RNA)
where:
Base-Base interactions energy: -162.249
where: short stacking energy: -105.786
Base-Backbone interact. energy: -0.315
local terms energy: -103.913368
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -292.108080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.108080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.108080 (E_RNA)
where:
Base-Base interactions energy: -191.665
where: short stacking energy: -110.164
Base-Backbone interact. energy: -0.721
local terms energy: -99.721962
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -184.870136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.870136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.870136 (E_RNA)
where:
Base-Base interactions energy: -98.975
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.512
local terms energy: -85.383133
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -174.890833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.890833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.890833 (E_RNA)
where:
Base-Base interactions energy: -101.878
where: short stacking energy: -60.680
Base-Backbone interact. energy: -0.295
local terms energy: -72.718257
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -450.625700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.625700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.625700 (E_RNA)
where:
Base-Base interactions energy: -309.104
where: short stacking energy: -144.705
Base-Backbone interact. energy: 0.169
local terms energy: -141.690506
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -36.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -435.222128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.222128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.222128 (E_RNA)
where:
Base-Base interactions energy: -296.805
where: short stacking energy: -128.637
Base-Backbone interact. energy: -0.553
local terms energy: -137.864521
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -34.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -436.304116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.304116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.304116 (E_RNA)
where:
Base-Base interactions energy: -303.809
where: short stacking energy: -127.612
Base-Backbone interact. energy: -2.909
local terms energy: -129.585438
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -38.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -416.314357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.314357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.314357 (E_RNA)
where:
Base-Base interactions energy: -285.720
where: short stacking energy: -120.694
Base-Backbone interact. energy: -1.095
local terms energy: -129.498703
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -29.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -372.972631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.972631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.972631 (E_RNA)
where:
Base-Base interactions energy: -249.776
where: short stacking energy: -120.453
Base-Backbone interact. energy: -0.768
local terms energy: -122.428226
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -28.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -310.412346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.412346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.412346 (E_RNA)
where:
Base-Base interactions energy: -209.148
where: short stacking energy: -103.548
Base-Backbone interact. energy: 0.514
local terms energy: -101.778458
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -14.828
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: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -311.364304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.364304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.364304 (E_RNA)
where:
Base-Base interactions energy: -202.946
where: short stacking energy: -100.683
Base-Backbone interact. energy: -0.150
local terms energy: -108.268346
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -260.632580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.632580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.632580 (E_RNA)
where:
Base-Base interactions energy: -171.193
where: short stacking energy: -91.363
Base-Backbone interact. energy: 1.286
local terms energy: -90.726474
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -13.841
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: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -140.513062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.513062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.513062 (E_RNA)
where:
Base-Base interactions energy: -56.835
where: short stacking energy: -53.786
Base-Backbone interact. energy: 0.293
local terms energy: -83.971166
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -26.199
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -140.017288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.017288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.017288 (E_RNA)
where:
Base-Base interactions energy: -65.568
where: short stacking energy: -44.043
Base-Backbone interact. energy: -0.736
local terms energy: -73.713269
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -8.162
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: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -441.643934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.643934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.643934 (E_RNA)
where:
Base-Base interactions energy: -304.568
where: short stacking energy: -134.587
Base-Backbone interact. energy: 0.918
local terms energy: -137.994286
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -34.275
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: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -456.126670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.126670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.126670 (E_RNA)
where:
Base-Base interactions energy: -316.898
where: short stacking energy: -125.714
Base-Backbone interact. energy: -1.003
local terms energy: -138.224790
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -36.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -430.697011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.697011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.697011 (E_RNA)
where:
Base-Base interactions energy: -301.037
where: short stacking energy: -147.814
Base-Backbone interact. energy: -0.565
local terms energy: -129.095319
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -34.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -389.585999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.585999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.585999 (E_RNA)
where:
Base-Base interactions energy: -258.923
where: short stacking energy: -134.871
Base-Backbone interact. energy: -0.126
local terms energy: -130.537589
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -35.233
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: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -403.543605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.543605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.543605 (E_RNA)
where:
Base-Base interactions energy: -281.199
where: short stacking energy: -106.768
Base-Backbone interact. energy: -1.704
local terms energy: -120.641134
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -26.705
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -331.468279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.468279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.468279 (E_RNA)
where:
Base-Base interactions energy: -225.937
where: short stacking energy: -108.324
Base-Backbone interact. energy: 6.215
local terms energy: -111.746299
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -300.928557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.928557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.928557 (E_RNA)
where:
Base-Base interactions energy: -194.463
where: short stacking energy: -102.808
Base-Backbone interact. energy: -0.432
local terms energy: -106.033368
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -16.662
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: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -293.438785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.438785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.438785 (E_RNA)
where:
Base-Base interactions energy: -187.002
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.439
local terms energy: -105.997141
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -146.554691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.554691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.554691 (E_RNA)
where:
Base-Base interactions energy: -58.522
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.208
local terms energy: -87.824847
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -156.957345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.957345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.957345 (E_RNA)
where:
Base-Base interactions energy: -64.370
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.210
local terms energy: -92.377754
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -460.483353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.483353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.483353 (E_RNA)
where:
Base-Base interactions energy: -325.387
where: short stacking energy: -153.073
Base-Backbone interact. energy: 0.394
local terms energy: -135.490544
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -33.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -448.638572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.638572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.638572 (E_RNA)
where:
Base-Base interactions energy: -317.118
where: short stacking energy: -125.586
Base-Backbone interact. energy: 1.139
local terms energy: -132.658852
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -33.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -432.310476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.310476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.310476 (E_RNA)
where:
Base-Base interactions energy: -298.952
where: short stacking energy: -139.903
Base-Backbone interact. energy: -0.191
local terms energy: -133.167611
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -34.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -374.558547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.558547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.558547 (E_RNA)
where:
Base-Base interactions energy: -242.552
where: short stacking energy: -116.116
Base-Backbone interact. energy: -1.079
local terms energy: -130.927725
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -27.820
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -411.913687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.913687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.913687 (E_RNA)
where:
Base-Base interactions energy: -309.908
where: short stacking energy: -115.918
Base-Backbone interact. energy: -1.459
local terms energy: -100.546508
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -334.754414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.754414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.754414 (E_RNA)
where:
Base-Base interactions energy: -234.460
where: short stacking energy: -101.772
Base-Backbone interact. energy: -0.909
local terms energy: -99.385107
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -8.716
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: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -367.240276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.240276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.240276 (E_RNA)
where:
Base-Base interactions energy: -248.025
where: short stacking energy: -118.581
Base-Backbone interact. energy: -0.401
local terms energy: -118.814649
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -28.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -267.214666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.214666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.214666 (E_RNA)
where:
Base-Base interactions energy: -172.013
where: short stacking energy: -85.077
Base-Backbone interact. energy: 0.337
local terms energy: -95.538694
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -14.091
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: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -139.429933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.429933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.429933 (E_RNA)
where:
Base-Base interactions energy: -65.367
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.810
local terms energy: -73.252902
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -8.771
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: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -148.392499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.392499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.392499 (E_RNA)
where:
Base-Base interactions energy: -60.342
where: short stacking energy: -42.864
Base-Backbone interact. energy: 0.552
local terms energy: -88.602610
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -447.650809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.650809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.650809 (E_RNA)
where:
Base-Base interactions energy: -310.916
where: short stacking energy: -136.360
Base-Backbone interact. energy: -1.921
local terms energy: -134.813278
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -34.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -454.345886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.345886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.345886 (E_RNA)
where:
Base-Base interactions energy: -308.803
where: short stacking energy: -131.762
Base-Backbone interact. energy: -2.263
local terms energy: -143.279295
where:
bonds (distance) C4'-P energy: -27.122
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -36.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -430.205733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.205733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.205733 (E_RNA)
where:
Base-Base interactions energy: -297.981
where: short stacking energy: -119.282
Base-Backbone interact. energy: -1.550
local terms energy: -130.674385
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -382.751890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.751890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.751890 (E_RNA)
where:
Base-Base interactions energy: -245.992
where: short stacking energy: -136.988
Base-Backbone interact. energy: -0.363
local terms energy: -136.397111
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -37.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -373.993790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.993790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.993790 (E_RNA)
where:
Base-Base interactions energy: -246.531
where: short stacking energy: -116.702
Base-Backbone interact. energy: -2.301
local terms energy: -125.162197
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -29.336
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -27.443
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: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -402.133231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.133231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.133231 (E_RNA)
where:
Base-Base interactions energy: -274.633
where: short stacking energy: -122.021
Base-Backbone interact. energy: -0.247
local terms energy: -127.252318
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -36.154
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: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -315.095944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.095944 (E_RNA)
where:
Base-Base interactions energy: -199.258
where: short stacking energy: -95.441
Base-Backbone interact. energy: -0.139
local terms energy: -115.699059
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -276.255688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.255688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.255688 (E_RNA)
where:
Base-Base interactions energy: -185.007
where: short stacking energy: -96.728
Base-Backbone interact. energy: -0.526
local terms energy: -90.722153
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -15.607
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: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -176.992011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.992011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.992011 (E_RNA)
where:
Base-Base interactions energy: -99.954
where: short stacking energy: -67.351
Base-Backbone interact. energy: -0.293
local terms energy: -76.744681
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -9.490
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: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -137.708031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.708031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.708031 (E_RNA)
where:
Base-Base interactions energy: -61.834
where: short stacking energy: -50.884
Base-Backbone interact. energy: 0.107
local terms energy: -75.980751
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: 0.655
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: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -454.115801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.115801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.115801 (E_RNA)
where:
Base-Base interactions energy: -319.022
where: short stacking energy: -128.923
Base-Backbone interact. energy: -0.340
local terms energy: -134.754446
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -28.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -439.914546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.914546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.914546 (E_RNA)
where:
Base-Base interactions energy: -302.060
where: short stacking energy: -148.390
Base-Backbone interact. energy: -1.454
local terms energy: -136.401015
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -39.011
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -428.696301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.696301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.696301 (E_RNA)
where:
Base-Base interactions energy: -308.627
where: short stacking energy: -122.940
Base-Backbone interact. energy: -0.229
local terms energy: -119.841197
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -30.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -380.117932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.117932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.117932 (E_RNA)
where:
Base-Base interactions energy: -253.561
where: short stacking energy: -128.113
Base-Backbone interact. energy: 0.017
local terms energy: -126.573699
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -36.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -404.694912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.694912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.694912 (E_RNA)
where:
Base-Base interactions energy: -275.453
where: short stacking energy: -125.186
Base-Backbone interact. energy: -1.652
local terms energy: -127.590110
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -369.007788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.007788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.007788 (E_RNA)
where:
Base-Base interactions energy: -262.233
where: short stacking energy: -107.543
Base-Backbone interact. energy: -0.762
local terms energy: -106.011862
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -25.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -318.745535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.745535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.745535 (E_RNA)
where:
Base-Base interactions energy: -216.491
where: short stacking energy: -85.839
Base-Backbone interact. energy: -0.690
local terms energy: -101.563971
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -9.871
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: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -254.213979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.213979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.213979 (E_RNA)
where:
Base-Base interactions energy: -168.115
where: short stacking energy: -95.095
Base-Backbone interact. energy: -0.325
local terms energy: -85.774655
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -225.742612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.742612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.742612 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -53.601
Base-Backbone interact. energy: -1.501
local terms energy: -93.461758
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -0.935
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: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -154.478233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.478233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.478233 (E_RNA)
where:
Base-Base interactions energy: -68.525
where: short stacking energy: -65.283
Base-Backbone interact. energy: 0.725
local terms energy: -86.677626
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -456.532833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.532833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.532833 (E_RNA)
where:
Base-Base interactions energy: -319.916
where: short stacking energy: -138.419
Base-Backbone interact. energy: -0.747
local terms energy: -135.869400
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -33.091
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -446.150141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.150141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.150141 (E_RNA)
where:
Base-Base interactions energy: -314.070
where: short stacking energy: -147.805
Base-Backbone interact. energy: -0.102
local terms energy: -131.978294
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -37.037
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: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -439.312462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.312462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.312462 (E_RNA)
where:
Base-Base interactions energy: -314.795
where: short stacking energy: -142.487
Base-Backbone interact. energy: 1.214
local terms energy: -125.730927
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -35.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -374.127842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.127842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.127842 (E_RNA)
where:
Base-Base interactions energy: -233.812
where: short stacking energy: -122.615
Base-Backbone interact. energy: -0.201
local terms energy: -140.114589
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -34.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -394.381437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.381437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.381437 (E_RNA)
where:
Base-Base interactions energy: -270.429
where: short stacking energy: -125.271
Base-Backbone interact. energy: -0.148
local terms energy: -123.804323
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -34.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -366.881688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.881688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.881688 (E_RNA)
where:
Base-Base interactions energy: -261.797
where: short stacking energy: -123.200
Base-Backbone interact. energy: -0.851
local terms energy: -104.233997
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -31.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -330.777125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.777125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.777125 (E_RNA)
where:
Base-Base interactions energy: -215.114
where: short stacking energy: -96.398
Base-Backbone interact. energy: -1.506
local terms energy: -114.157465
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -272.744703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.744703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.744703 (E_RNA)
where:
Base-Base interactions energy: -174.358
where: short stacking energy: -96.811
Base-Backbone interact. energy: -0.847
local terms energy: -97.540000
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -238.562181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.562181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.562181 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -78.727
Base-Backbone interact. energy: -1.275
local terms energy: -98.928519
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -132.699064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.699064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.699064 (E_RNA)
where:
Base-Base interactions energy: -57.431
where: short stacking energy: -43.085
Base-Backbone interact. energy: -1.237
local terms energy: -74.031200
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -452.381636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.381636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.381636 (E_RNA)
where:
Base-Base interactions energy: -309.876
where: short stacking energy: -135.217
Base-Backbone interact. energy: -0.440
local terms energy: -142.066002
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -37.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -452.117225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.117225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.117225 (E_RNA)
where:
Base-Base interactions energy: -320.402
where: short stacking energy: -137.640
Base-Backbone interact. energy: -1.035
local terms energy: -130.679527
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -33.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -452.580004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.580004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.580004 (E_RNA)
where:
Base-Base interactions energy: -307.390
where: short stacking energy: -141.132
Base-Backbone interact. energy: 0.837
local terms energy: -146.026100
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -36.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -380.246596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.246596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.246596 (E_RNA)
where:
Base-Base interactions energy: -246.102
where: short stacking energy: -133.161
Base-Backbone interact. energy: -0.002
local terms energy: -134.142976
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -39.594
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: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -363.844421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.844421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.844421 (E_RNA)
where:
Base-Base interactions energy: -249.313
where: short stacking energy: -112.662
Base-Backbone interact. energy: 0.219
local terms energy: -114.750460
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -29.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -379.768971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.768971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.768971 (E_RNA)
where:
Base-Base interactions energy: -260.935
where: short stacking energy: -126.440
Base-Backbone interact. energy: -0.118
local terms energy: -118.715892
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -32.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -250.683937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.683937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.683937 (E_RNA)
where:
Base-Base interactions energy: -155.087
where: short stacking energy: -99.236
Base-Backbone interact. energy: 0.371
local terms energy: -95.967846
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -303.683759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.683759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.683759 (E_RNA)
where:
Base-Base interactions energy: -190.887
where: short stacking energy: -91.660
Base-Backbone interact. energy: -1.984
local terms energy: -110.812618
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -263.138824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.138824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.138824 (E_RNA)
where:
Base-Base interactions energy: -168.755
where: short stacking energy: -91.406
Base-Backbone interact. energy: 1.873
local terms energy: -96.257133
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -133.443601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.443601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.443601 (E_RNA)
where:
Base-Base interactions energy: -66.573
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.210
local terms energy: -66.659981
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -14.239
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: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -460.360606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.360606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.360606 (E_RNA)
where:
Base-Base interactions energy: -318.303
where: short stacking energy: -136.550
Base-Backbone interact. energy: -0.111
local terms energy: -141.946698
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -35.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -468.857718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.857718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.857718 (E_RNA)
where:
Base-Base interactions energy: -325.490
where: short stacking energy: -152.774
Base-Backbone interact. energy: -0.051
local terms energy: -143.316583
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -40.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -437.579301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.579301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.579301 (E_RNA)
where:
Base-Base interactions energy: -302.612
where: short stacking energy: -138.793
Base-Backbone interact. energy: -0.072
local terms energy: -134.894823
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -30.052
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -383.720491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.720491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.720491 (E_RNA)
where:
Base-Base interactions energy: -257.834
where: short stacking energy: -105.689
Base-Backbone interact. energy: -1.017
local terms energy: -124.869618
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -353.997526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.997526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.997526 (E_RNA)
where:
Base-Base interactions energy: -236.032
where: short stacking energy: -120.533
Base-Backbone interact. energy: -0.219
local terms energy: -117.746958
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -402.629202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.629202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.629202 (E_RNA)
where:
Base-Base interactions energy: -279.483
where: short stacking energy: -117.594
Base-Backbone interact. energy: -1.046
local terms energy: -122.100333
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -263.375100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.375100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.375100 (E_RNA)
where:
Base-Base interactions energy: -158.170
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.072
local terms energy: -105.132812
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -319.054042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.054042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.054042 (E_RNA)
where:
Base-Base interactions energy: -211.377
where: short stacking energy: -107.541
Base-Backbone interact. energy: -0.215
local terms energy: -107.461650
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -244.374070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.374070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.374070 (E_RNA)
where:
Base-Base interactions energy: -154.147
where: short stacking energy: -59.058
Base-Backbone interact. energy: 1.220
local terms energy: -91.446776
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -0.567
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: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -150.654809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.654809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.654809 (E_RNA)
where:
Base-Base interactions energy: -78.195
where: short stacking energy: -48.182
Base-Backbone interact. energy: 1.348
local terms energy: -73.807541
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -461.743750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.743750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.743750 (E_RNA)
where:
Base-Base interactions energy: -314.136
where: short stacking energy: -145.988
Base-Backbone interact. energy: 0.207
local terms energy: -147.814520
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -37.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -455.154953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.154953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.154953 (E_RNA)
where:
Base-Base interactions energy: -321.350
where: short stacking energy: -139.641
Base-Backbone interact. energy: -2.118
local terms energy: -131.687145
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -33.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -427.543376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.543376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.543376 (E_RNA)
where:
Base-Base interactions energy: -297.419
where: short stacking energy: -141.784
Base-Backbone interact. energy: -0.864
local terms energy: -129.260323
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -30.161
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: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -384.934702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.934702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.934702 (E_RNA)
where:
Base-Base interactions energy: -261.404
where: short stacking energy: -119.688
Base-Backbone interact. energy: -0.424
local terms energy: -123.106809
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -407.861286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.861286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.861286 (E_RNA)
where:
Base-Base interactions energy: -277.383
where: short stacking energy: -114.527
Base-Backbone interact. energy: -0.499
local terms energy: -129.979419
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -28.245
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -27.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -338.284820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.284820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.284820 (E_RNA)
where:
Base-Base interactions energy: -213.931
where: short stacking energy: -110.126
Base-Backbone interact. energy: -0.349
local terms energy: -124.005371
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -335.977070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.977070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.977070 (E_RNA)
where:
Base-Base interactions energy: -226.638
where: short stacking energy: -111.162
Base-Backbone interact. energy: 0.955
local terms energy: -110.293970
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -27.573
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -280.686517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.686517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.686517 (E_RNA)
where:
Base-Base interactions energy: -185.090
where: short stacking energy: -93.370
Base-Backbone interact. energy: -1.696
local terms energy: -93.900368
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -246.564719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.564719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.564719 (E_RNA)
where:
Base-Base interactions energy: -150.834
where: short stacking energy: -85.819
Base-Backbone interact. energy: -1.427
local terms energy: -94.304448
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -18.357
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: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -165.964016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.964016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.964016 (E_RNA)
where:
Base-Base interactions energy: -82.533
where: short stacking energy: -73.181
Base-Backbone interact. energy: -0.256
local terms energy: -83.175446
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -12.504
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: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -468.118849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.118849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.118849 (E_RNA)
where:
Base-Base interactions energy: -329.666
where: short stacking energy: -149.290
Base-Backbone interact. energy: -0.770
local terms energy: -137.683264
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -36.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -447.135693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.135693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.135693 (E_RNA)
where:
Base-Base interactions energy: -303.032
where: short stacking energy: -119.325
Base-Backbone interact. energy: -0.440
local terms energy: -143.663886
where:
bonds (distance) C4'-P energy: -29.720
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -31.480
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: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -435.697705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.697705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.697705 (E_RNA)
where:
Base-Base interactions energy: -299.884
where: short stacking energy: -145.132
Base-Backbone interact. energy: -0.286
local terms energy: -135.526781
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -20.071
tors. eta vs tors. theta energy: -35.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -434.392644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.392644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.392644 (E_RNA)
where:
Base-Base interactions energy: -306.644
where: short stacking energy: -137.453
Base-Backbone interact. energy: 0.691
local terms energy: -128.439451
where:
bonds (distance) C4'-P energy: -24.886
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -33.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -380.209603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.209603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.209603 (E_RNA)
where:
Base-Base interactions energy: -249.728
where: short stacking energy: -105.685
Base-Backbone interact. energy: -3.533
local terms energy: -126.947933
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -30.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -369.019226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.019226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.019226 (E_RNA)
where:
Base-Base interactions energy: -239.651
where: short stacking energy: -115.320
Base-Backbone interact. energy: 0.547
local terms energy: -129.914934
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -32.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -328.496428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.496428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.496428 (E_RNA)
where:
Base-Base interactions energy: -209.595
where: short stacking energy: -107.402
Base-Backbone interact. energy: -0.142
local terms energy: -118.759201
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -267.760406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.760406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.760406 (E_RNA)
where:
Base-Base interactions energy: -178.745
where: short stacking energy: -86.309
Base-Backbone interact. energy: -0.934
local terms energy: -88.081700
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -13.443
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: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -299.537889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.537889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.537889 (E_RNA)
where:
Base-Base interactions energy: -177.149
where: short stacking energy: -92.812
Base-Backbone interact. energy: -0.160
local terms energy: -122.228119
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -26.320
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: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -175.079229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.079229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.079229 (E_RNA)
where:
Base-Base interactions energy: -98.565
where: short stacking energy: -41.486
Base-Backbone interact. energy: -0.330
local terms energy: -76.184665
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -9.681
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: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -448.337533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.337533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.337533 (E_RNA)
where:
Base-Base interactions energy: -310.769
where: short stacking energy: -126.423
Base-Backbone interact. energy: -1.115
local terms energy: -136.453769
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -34.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -453.098374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.098374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.098374 (E_RNA)
where:
Base-Base interactions energy: -328.276
where: short stacking energy: -142.122
Base-Backbone interact. energy: 0.776
local terms energy: -125.597741
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -34.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -427.199614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.199614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.199614 (E_RNA)
where:
Base-Base interactions energy: -293.028
where: short stacking energy: -120.329
Base-Backbone interact. energy: -0.742
local terms energy: -133.429802
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -35.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -440.543708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.543708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.543708 (E_RNA)
where:
Base-Base interactions energy: -301.003
where: short stacking energy: -149.422
Base-Backbone interact. energy: -0.582
local terms energy: -138.958638
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -401.440156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.440156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.440156 (E_RNA)
where:
Base-Base interactions energy: -267.253
where: short stacking energy: -120.915
Base-Backbone interact. energy: -2.300
local terms energy: -131.887126
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -344.801063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.801063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.801063 (E_RNA)
where:
Base-Base interactions energy: -221.965
where: short stacking energy: -105.872
Base-Backbone interact. energy: -0.101
local terms energy: -122.734960
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -328.209665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.209665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.209665 (E_RNA)
where:
Base-Base interactions energy: -215.068
where: short stacking energy: -110.618
Base-Backbone interact. energy: -0.206
local terms energy: -112.935031
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -27.784
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: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -267.522034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.522034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.522034 (E_RNA)
where:
Base-Base interactions energy: -165.572
where: short stacking energy: -85.143
Base-Backbone interact. energy: 0.431
local terms energy: -102.380985
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -13.035
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: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -299.247191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.247191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.247191 (E_RNA)
where:
Base-Base interactions energy: -179.130
where: short stacking energy: -92.618
Base-Backbone interact. energy: -1.186
local terms energy: -118.931047
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -210.731148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.731148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.731148 (E_RNA)
where:
Base-Base interactions energy: -122.809
where: short stacking energy: -58.056
Base-Backbone interact. energy: -1.118
local terms energy: -86.805005
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -455.795405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.795405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.795405 (E_RNA)
where:
Base-Base interactions energy: -316.319
where: short stacking energy: -138.277
Base-Backbone interact. energy: -0.608
local terms energy: -138.868744
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -32.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -449.935877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.935877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.935877 (E_RNA)
where:
Base-Base interactions energy: -320.200
where: short stacking energy: -140.452
Base-Backbone interact. energy: -0.333
local terms energy: -129.403016
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -29.667
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -35.834
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -420.979482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.979482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.979482 (E_RNA)
where:
Base-Base interactions energy: -287.390
where: short stacking energy: -138.920
Base-Backbone interact. energy: -1.060
local terms energy: -132.529011
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -36.412
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -450.334945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.334945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.334945 (E_RNA)
where:
Base-Base interactions energy: -306.433
where: short stacking energy: -139.505
Base-Backbone interact. energy: -0.856
local terms energy: -143.046296
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -39.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -384.972981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.972981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.972981 (E_RNA)
where:
Base-Base interactions energy: -254.495
where: short stacking energy: -110.027
Base-Backbone interact. energy: 0.474
local terms energy: -130.951523
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -332.844139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.844139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.844139 (E_RNA)
where:
Base-Base interactions energy: -216.833
where: short stacking energy: -107.807
Base-Backbone interact. energy: -0.179
local terms energy: -115.831718
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -26.642
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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -344.616424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.616424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.616424 (E_RNA)
where:
Base-Base interactions energy: -234.687
where: short stacking energy: -109.975
Base-Backbone interact. energy: -0.105
local terms energy: -109.824380
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -316.071426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.071426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.071426 (E_RNA)
where:
Base-Base interactions energy: -192.801
where: short stacking energy: -103.532
Base-Backbone interact. energy: -0.191
local terms energy: -123.079810
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -27.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -273.994485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.994485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.994485 (E_RNA)
where:
Base-Base interactions energy: -167.250
where: short stacking energy: -77.641
Base-Backbone interact. energy: -1.155
local terms energy: -105.590198
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -9.128
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: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -159.044909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.044909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.044909 (E_RNA)
where:
Base-Base interactions energy: -77.862
where: short stacking energy: -47.220
Base-Backbone interact. energy: 1.798
local terms energy: -82.980434
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -29.406
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -1.554
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: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -462.911194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.911194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.911194 (E_RNA)
where:
Base-Base interactions energy: -324.598
where: short stacking energy: -137.051
Base-Backbone interact. energy: -0.082
local terms energy: -138.231577
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -455.392989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.392989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.392989 (E_RNA)
where:
Base-Base interactions energy: -332.803
where: short stacking energy: -141.790
Base-Backbone interact. energy: -2.433
local terms energy: -120.157105
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -37.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -457.358373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.358373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.358373 (E_RNA)
where:
Base-Base interactions energy: -312.032
where: short stacking energy: -138.257
Base-Backbone interact. energy: 0.293
local terms energy: -145.619181
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -38.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -403.200058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.200058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.200058 (E_RNA)
where:
Base-Base interactions energy: -276.445
where: short stacking energy: -137.072
Base-Backbone interact. energy: -0.624
local terms energy: -126.131094
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -32.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -399.343424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.343424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.343424 (E_RNA)
where:
Base-Base interactions energy: -267.241
where: short stacking energy: -127.401
Base-Backbone interact. energy: -0.230
local terms energy: -131.871922
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -38.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -347.823706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.823706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.823706 (E_RNA)
where:
Base-Base interactions energy: -223.725
where: short stacking energy: -114.658
Base-Backbone interact. energy: -0.096
local terms energy: -124.002729
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -355.398101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.398101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.398101 (E_RNA)
where:
Base-Base interactions energy: -243.445
where: short stacking energy: -123.135
Base-Backbone interact. energy: -0.134
local terms energy: -111.818805
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -31.526
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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -299.924227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.924227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.924227 (E_RNA)
where:
Base-Base interactions energy: -189.670
where: short stacking energy: -104.525
Base-Backbone interact. energy: 0.313
local terms energy: -110.566685
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -14.034
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: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -252.582481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.582481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.582481 (E_RNA)
where:
Base-Base interactions energy: -160.190
where: short stacking energy: -70.957
Base-Backbone interact. energy: -0.016
local terms energy: -92.375596
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -193.469756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.469756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.469756 (E_RNA)
where:
Base-Base interactions energy: -117.734
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.443
local terms energy: -75.292641
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -458.949735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.949735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.949735 (E_RNA)
where:
Base-Base interactions energy: -321.978
where: short stacking energy: -138.429
Base-Backbone interact. energy: -0.173
local terms energy: -136.799566
where:
bonds (distance) C4'-P energy: -25.991
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -31.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -481.568868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.568868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.568868 (E_RNA)
where:
Base-Base interactions energy: -337.397
where: short stacking energy: -150.911
Base-Backbone interact. energy: 0.844
local terms energy: -145.015477
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -42.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -428.608901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.608901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.608901 (E_RNA)
where:
Base-Base interactions energy: -300.366
where: short stacking energy: -125.633
Base-Backbone interact. energy: 1.913
local terms energy: -130.155844
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -399.817770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.817770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.817770 (E_RNA)
where:
Base-Base interactions energy: -269.136
where: short stacking energy: -120.121
Base-Backbone interact. energy: -1.095
local terms energy: -129.587070
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -31.427
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: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -410.703288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.703288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.703288 (E_RNA)
where:
Base-Base interactions energy: -275.177
where: short stacking energy: -124.045
Base-Backbone interact. energy: -0.190
local terms energy: -135.336561
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -30.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -377.367307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.367307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.367307 (E_RNA)
where:
Base-Base interactions energy: -263.703
where: short stacking energy: -118.523
Base-Backbone interact. energy: 0.293
local terms energy: -113.956566
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -302.872821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.872821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.872821 (E_RNA)
where:
Base-Base interactions energy: -187.245
where: short stacking energy: -85.456
Base-Backbone interact. energy: -1.545
local terms energy: -114.083120
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -295.523313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.523313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.523313 (E_RNA)
where:
Base-Base interactions energy: -186.123
where: short stacking energy: -99.226
Base-Backbone interact. energy: -0.824
local terms energy: -108.576340
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -247.922864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.922864 (E_RNA)
where:
Base-Base interactions energy: -153.392
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.656
local terms energy: -93.875201
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -138.651677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.651677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.651677 (E_RNA)
where:
Base-Base interactions energy: -51.263
where: short stacking energy: -43.409
Base-Backbone interact. energy: -1.259
local terms energy: -86.129301
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -0.139
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: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -485.812438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.812438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.812438 (E_RNA)
where:
Base-Base interactions energy: -338.819
where: short stacking energy: -150.918
Base-Backbone interact. energy: -0.156
local terms energy: -146.838070
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -39.557
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: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -453.960987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.960987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.960987 (E_RNA)
where:
Base-Base interactions energy: -326.723
where: short stacking energy: -146.452
Base-Backbone interact. energy: 1.399
local terms energy: -128.636921
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -422.674566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.674566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.674566 (E_RNA)
where:
Base-Base interactions energy: -286.559
where: short stacking energy: -130.368
Base-Backbone interact. energy: -0.543
local terms energy: -135.572508
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -28.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -387.294625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.294625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.294625 (E_RNA)
where:
Base-Base interactions energy: -255.654
where: short stacking energy: -117.888
Base-Backbone interact. energy: -1.199
local terms energy: -130.441264
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -33.121
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: 36
Temperature: 1.100000
Total energy: -391.208907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.208907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.208907 (E_RNA)
where:
Base-Base interactions energy: -270.166
where: short stacking energy: -131.925
Base-Backbone interact. energy: -0.744
local terms energy: -120.299311
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -27.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -401.870226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.870226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.870226 (E_RNA)
where:
Base-Base interactions energy: -278.646
where: short stacking energy: -134.581
Base-Backbone interact. energy: -0.253
local terms energy: -122.971399
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -32.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -311.944377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.944377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.944377 (E_RNA)
where:
Base-Base interactions energy: -212.175
where: short stacking energy: -99.452
Base-Backbone interact. energy: 0.504
local terms energy: -100.274218
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -19.286
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: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -281.799139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.799139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.799139 (E_RNA)
where:
Base-Base interactions energy: -175.725
where: short stacking energy: -87.086
Base-Backbone interact. energy: -0.579
local terms energy: -105.495923
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -22.505
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -296.638915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.638915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.638915 (E_RNA)
where:
Base-Base interactions energy: -185.539
where: short stacking energy: -81.651
Base-Backbone interact. energy: -0.076
local terms energy: -111.024207
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -16.562
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: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -139.837508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.837508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.837508 (E_RNA)
where:
Base-Base interactions energy: -52.811
where: short stacking energy: -52.811
Base-Backbone interact. energy: 0.589
local terms energy: -87.615904
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -6.086
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: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -481.116569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.116569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.116569 (E_RNA)
where:
Base-Base interactions energy: -343.829
where: short stacking energy: -158.970
Base-Backbone interact. energy: -0.135
local terms energy: -137.152126
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -40.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -449.112374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.112374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.112374 (E_RNA)
where:
Base-Base interactions energy: -318.801
where: short stacking energy: -141.197
Base-Backbone interact. energy: -0.175
local terms energy: -130.136569
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -31.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -426.157478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.157478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.157478 (E_RNA)
where:
Base-Base interactions energy: -301.284
where: short stacking energy: -123.445
Base-Backbone interact. energy: -1.433
local terms energy: -123.439675
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -377.851294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.851294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.851294 (E_RNA)
where:
Base-Base interactions energy: -257.616
where: short stacking energy: -125.366
Base-Backbone interact. energy: -0.053
local terms energy: -120.181698
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -391.180963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.180963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.180963 (E_RNA)
where:
Base-Base interactions energy: -264.396
where: short stacking energy: -118.845
Base-Backbone interact. energy: -2.553
local terms energy: -124.231986
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -26.062
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: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -375.764950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.764950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.764950 (E_RNA)
where:
Base-Base interactions energy: -258.026
where: short stacking energy: -103.949
Base-Backbone interact. energy: -0.291
local terms energy: -117.447254
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -23.623
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: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -302.449982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.449982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.449982 (E_RNA)
where:
Base-Base interactions energy: -194.523
where: short stacking energy: -83.421
Base-Backbone interact. energy: 4.464
local terms energy: -112.390610
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -324.258951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.258951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.258951 (E_RNA)
where:
Base-Base interactions energy: -221.887
where: short stacking energy: -107.304
Base-Backbone interact. energy: -0.227
local terms energy: -102.145331
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -311.841366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.841366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.841366 (E_RNA)
where:
Base-Base interactions energy: -211.135
where: short stacking energy: -95.525
Base-Backbone interact. energy: -1.805
local terms energy: -98.901531
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -23.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -149.844971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.844971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.844971 (E_RNA)
where:
Base-Base interactions energy: -64.492
where: short stacking energy: -52.863
Base-Backbone interact. energy: -0.170
local terms energy: -85.182128
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -487.878799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.878799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.878799 (E_RNA)
where:
Base-Base interactions energy: -333.537
where: short stacking energy: -147.468
Base-Backbone interact. energy: -0.204
local terms energy: -154.138370
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -40.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -441.274493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.274493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.274493 (E_RNA)
where:
Base-Base interactions energy: -310.560
where: short stacking energy: -125.734
Base-Backbone interact. energy: -0.083
local terms energy: -130.631271
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -29.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -422.144855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.144855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.144855 (E_RNA)
where:
Base-Base interactions energy: -294.252
where: short stacking energy: -134.788
Base-Backbone interact. energy: -0.577
local terms energy: -127.316312
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -30.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -392.587935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.587935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.587935 (E_RNA)
where:
Base-Base interactions energy: -260.525
where: short stacking energy: -123.894
Base-Backbone interact. energy: -0.177
local terms energy: -131.886434
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -35.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -382.059392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.059392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.059392 (E_RNA)
where:
Base-Base interactions energy: -265.864
where: short stacking energy: -121.693
Base-Backbone interact. energy: -0.989
local terms energy: -115.206389
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -27.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -357.282580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.282580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.282580 (E_RNA)
where:
Base-Base interactions energy: -237.810
where: short stacking energy: -119.857
Base-Backbone interact. energy: -0.237
local terms energy: -119.235553
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -30.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -324.275067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.275067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.275067 (E_RNA)
where:
Base-Base interactions energy: -218.612
where: short stacking energy: -105.183
Base-Backbone interact. energy: -0.472
local terms energy: -105.191534
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -14.618
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: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -305.148672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.148672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.148672 (E_RNA)
where:
Base-Base interactions energy: -192.310
where: short stacking energy: -93.287
Base-Backbone interact. energy: -0.041
local terms energy: -112.798424
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -25.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -307.486544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.486544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.486544 (E_RNA)
where:
Base-Base interactions energy: -208.608
where: short stacking energy: -99.776
Base-Backbone interact. energy: -0.050
local terms energy: -98.828990
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -28.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -135.477922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.477922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.477922 (E_RNA)
where:
Base-Base interactions energy: -41.827
where: short stacking energy: -40.270
Base-Backbone interact. energy: -2.047
local terms energy: -91.603223
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -16.016
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: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -482.532428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.532428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.532428 (E_RNA)
where:
Base-Base interactions energy: -338.982
where: short stacking energy: -154.993
Base-Backbone interact. energy: -1.259
local terms energy: -142.290981
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -41.717
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: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -443.261494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.261494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.261494 (E_RNA)
where:
Base-Base interactions energy: -332.749
where: short stacking energy: -136.786
Base-Backbone interact. energy: 0.697
local terms energy: -111.209926
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -419.070952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.070952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.070952 (E_RNA)
where:
Base-Base interactions energy: -287.824
where: short stacking energy: -140.737
Base-Backbone interact. energy: 2.594
local terms energy: -133.840543
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -33.840
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: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -392.745056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.745056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.745056 (E_RNA)
where:
Base-Base interactions energy: -268.093
where: short stacking energy: -137.456
Base-Backbone interact. energy: -1.476
local terms energy: -123.176256
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -37.493
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: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -379.089482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.089482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.089482 (E_RNA)
where:
Base-Base interactions energy: -264.880
where: short stacking energy: -119.400
Base-Backbone interact. energy: -0.150
local terms energy: -114.059208
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -341.071376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.071376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.071376 (E_RNA)
where:
Base-Base interactions energy: -234.075
where: short stacking energy: -113.528
Base-Backbone interact. energy: -3.011
local terms energy: -103.985364
where:
bonds (distance) C4'-P energy: -28.613
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -353.078099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.078099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.078099 (E_RNA)
where:
Base-Base interactions energy: -242.120
where: short stacking energy: -113.909
Base-Backbone interact. energy: -0.544
local terms energy: -110.414296
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -26.428
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: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -296.643660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.643660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.643660 (E_RNA)
where:
Base-Base interactions energy: -199.640
where: short stacking energy: -101.696
Base-Backbone interact. energy: -0.198
local terms energy: -96.804867
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -318.826646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.826646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.826646 (E_RNA)
where:
Base-Base interactions energy: -210.547
where: short stacking energy: -94.385
Base-Backbone interact. energy: -0.294
local terms energy: -107.984825
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -23.347
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: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -140.948718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.948718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.948718 (E_RNA)
where:
Base-Base interactions energy: -61.384
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.216
local terms energy: -79.349196
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -479.631812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.631812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.631812 (E_RNA)
where:
Base-Base interactions energy: -332.281
where: short stacking energy: -158.856
Base-Backbone interact. energy: -1.656
local terms energy: -145.694985
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -43.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -440.948418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.948418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.948418 (E_RNA)
where:
Base-Base interactions energy: -312.180
where: short stacking energy: -136.968
Base-Backbone interact. energy: -0.480
local terms energy: -128.288551
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -28.148
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: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -418.160228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.160228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.160228 (E_RNA)
where:
Base-Base interactions energy: -270.725
where: short stacking energy: -143.063
Base-Backbone interact. energy: -0.494
local terms energy: -146.941463
where:
bonds (distance) C4'-P energy: -26.734
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -42.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -414.005718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.005718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.005718 (E_RNA)
where:
Base-Base interactions energy: -279.249
where: short stacking energy: -126.920
Base-Backbone interact. energy: -0.246
local terms energy: -134.511225
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -33.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -357.648158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.648158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.648158 (E_RNA)
where:
Base-Base interactions energy: -234.954
where: short stacking energy: -104.029
Base-Backbone interact. energy: -2.052
local terms energy: -120.642692
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -349.751593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.751593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.751593 (E_RNA)
where:
Base-Base interactions energy: -243.038
where: short stacking energy: -114.099
Base-Backbone interact. energy: -1.016
local terms energy: -105.697551
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -12.646
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: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -316.284040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.284040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.284040 (E_RNA)
where:
Base-Base interactions energy: -206.466
where: short stacking energy: -106.877
Base-Backbone interact. energy: 0.257
local terms energy: -110.074694
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -27.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -329.823529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.823529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.823529 (E_RNA)
where:
Base-Base interactions energy: -215.159
where: short stacking energy: -96.400
Base-Backbone interact. energy: 0.535
local terms energy: -115.198864
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -26.072
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: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -263.551967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.551967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.551967 (E_RNA)
where:
Base-Base interactions energy: -154.534
where: short stacking energy: -66.967
Base-Backbone interact. energy: -1.063
local terms energy: -107.954558
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -12.848
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: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -148.744545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.744545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.744545 (E_RNA)
where:
Base-Base interactions energy: -66.827
where: short stacking energy: -60.501
Base-Backbone interact. energy: -0.279
local terms energy: -81.638151
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -6.278
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: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -472.977341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.977341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.977341 (E_RNA)
where:
Base-Base interactions energy: -324.536
where: short stacking energy: -156.028
Base-Backbone interact. energy: -0.190
local terms energy: -148.251147
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -436.924261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.924261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.924261 (E_RNA)
where:
Base-Base interactions energy: -301.254
where: short stacking energy: -133.395
Base-Backbone interact. energy: -0.018
local terms energy: -135.652611
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -31.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -410.419655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.419655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.419655 (E_RNA)
where:
Base-Base interactions energy: -270.260
where: short stacking energy: -132.043
Base-Backbone interact. energy: -0.112
local terms energy: -140.047821
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -40.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -418.274370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.274370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.274370 (E_RNA)
where:
Base-Base interactions energy: -290.262
where: short stacking energy: -122.635
Base-Backbone interact. energy: -0.563
local terms energy: -127.448926
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -32.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -335.821024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.821024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.821024 (E_RNA)
where:
Base-Base interactions energy: -218.234
where: short stacking energy: -105.834
Base-Backbone interact. energy: -0.502
local terms energy: -117.085806
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -23.062
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -320.116306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.116306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.116306 (E_RNA)
where:
Base-Base interactions energy: -205.728
where: short stacking energy: -111.421
Base-Backbone interact. energy: -0.353
local terms energy: -114.035896
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -340.325374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.325374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.325374 (E_RNA)
where:
Base-Base interactions energy: -234.999
where: short stacking energy: -102.613
Base-Backbone interact. energy: -0.364
local terms energy: -104.961827
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -24.220
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -25.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -270.646587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.646587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.646587 (E_RNA)
where:
Base-Base interactions energy: -168.784
where: short stacking energy: -90.762
Base-Backbone interact. energy: 1.005
local terms energy: -102.867267
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -19.190
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: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -305.420924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.420924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.420924 (E_RNA)
where:
Base-Base interactions energy: -218.534
where: short stacking energy: -102.295
Base-Backbone interact. energy: 3.849
local terms energy: -90.735533
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -10.975
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: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -131.992137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.992137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.992137 (E_RNA)
where:
Base-Base interactions energy: -64.137
where: short stacking energy: -52.954
Base-Backbone interact. energy: 0.807
local terms energy: -68.662412
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -478.269494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.269494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.269494 (E_RNA)
where:
Base-Base interactions energy: -329.640
where: short stacking energy: -141.480
Base-Backbone interact. energy: -0.291
local terms energy: -148.338364
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -40.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -439.912785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.912785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.912785 (E_RNA)
where:
Base-Base interactions energy: -307.956
where: short stacking energy: -134.737
Base-Backbone interact. energy: -0.196
local terms energy: -131.760616
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -411.867011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.867011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.867011 (E_RNA)
where:
Base-Base interactions energy: -287.807
where: short stacking energy: -130.675
Base-Backbone interact. energy: 0.749
local terms energy: -124.809406
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -35.433
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: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -399.558943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.558943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.558943 (E_RNA)
where:
Base-Base interactions energy: -268.306
where: short stacking energy: -142.521
Base-Backbone interact. energy: -0.099
local terms energy: -131.153885
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -34.970
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -363.959919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.959919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.959919 (E_RNA)
where:
Base-Base interactions energy: -244.099
where: short stacking energy: -105.186
Base-Backbone interact. energy: -0.219
local terms energy: -119.641596
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -344.053226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.053226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.053226 (E_RNA)
where:
Base-Base interactions energy: -240.770
where: short stacking energy: -110.175
Base-Backbone interact. energy: -0.172
local terms energy: -103.111575
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -336.400292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.400292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.400292 (E_RNA)
where:
Base-Base interactions energy: -231.813
where: short stacking energy: -116.431
Base-Backbone interact. energy: -0.717
local terms energy: -103.870567
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -261.055565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.055565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.055565 (E_RNA)
where:
Base-Base interactions energy: -160.440
where: short stacking energy: -78.495
Base-Backbone interact. energy: -0.820
local terms energy: -99.795835
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -18.786
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: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -312.413048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.413048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.413048 (E_RNA)
where:
Base-Base interactions energy: -216.206
where: short stacking energy: -90.881
Base-Backbone interact. energy: -0.836
local terms energy: -95.371283
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -146.621545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.621545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.621545 (E_RNA)
where:
Base-Base interactions energy: -62.696
where: short stacking energy: -37.349
Base-Backbone interact. energy: -0.584
local terms energy: -83.341154
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -479.867503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.867503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.867503 (E_RNA)
where:
Base-Base interactions energy: -338.057
where: short stacking energy: -153.189
Base-Backbone interact. energy: -0.786
local terms energy: -141.025257
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -27.994
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -41.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -432.490496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.490496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.490496 (E_RNA)
where:
Base-Base interactions energy: -301.396
where: short stacking energy: -132.395
Base-Backbone interact. energy: -0.117
local terms energy: -130.976748
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -34.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -440.842961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.842961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.842961 (E_RNA)
where:
Base-Base interactions energy: -318.228
where: short stacking energy: -139.849
Base-Backbone interact. energy: -1.099
local terms energy: -121.516399
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -28.354
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: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -387.644414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.644414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.644414 (E_RNA)
where:
Base-Base interactions energy: -250.549
where: short stacking energy: -122.673
Base-Backbone interact. energy: -0.672
local terms energy: -136.423287
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -29.014
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -35.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -434.407954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.407954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.407954 (E_RNA)
where:
Base-Base interactions energy: -299.299
where: short stacking energy: -131.943
Base-Backbone interact. energy: -0.635
local terms energy: -134.474142
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -35.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -348.373895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.373895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.373895 (E_RNA)
where:
Base-Base interactions energy: -235.905
where: short stacking energy: -110.100
Base-Backbone interact. energy: -0.043
local terms energy: -112.426308
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -28.608
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: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -344.359238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.359238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.359238 (E_RNA)
where:
Base-Base interactions energy: -225.266
where: short stacking energy: -108.284
Base-Backbone interact. energy: 0.762
local terms energy: -119.855005
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -339.853975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.853975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.853975 (E_RNA)
where:
Base-Base interactions energy: -229.404
where: short stacking energy: -104.156
Base-Backbone interact. energy: -0.589
local terms energy: -109.861827
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -296.211572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.211572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.211572 (E_RNA)
where:
Base-Base interactions energy: -193.024
where: short stacking energy: -97.247
Base-Backbone interact. energy: -1.240
local terms energy: -101.947634
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -155.801228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.801228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.801228 (E_RNA)
where:
Base-Base interactions energy: -59.672
where: short stacking energy: -41.477
Base-Backbone interact. energy: -1.766
local terms energy: -94.362345
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -475.601252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.601252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.601252 (E_RNA)
where:
Base-Base interactions energy: -327.375
where: short stacking energy: -139.461
Base-Backbone interact. energy: -1.400
local terms energy: -146.826536
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -38.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -424.057074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.057074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.057074 (E_RNA)
where:
Base-Base interactions energy: -291.596
where: short stacking energy: -128.867
Base-Backbone interact. energy: -0.273
local terms energy: -132.188336
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -29.871
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -33.588
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: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -461.184819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.184819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.184819 (E_RNA)
where:
Base-Base interactions energy: -320.939
where: short stacking energy: -141.047
Base-Backbone interact. energy: -0.107
local terms energy: -140.138637
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -30.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -380.267527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.267527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.267527 (E_RNA)
where:
Base-Base interactions energy: -263.406
where: short stacking energy: -119.947
Base-Backbone interact. energy: -0.347
local terms energy: -116.514775
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -28.085
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -428.860576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.860576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.860576 (E_RNA)
where:
Base-Base interactions energy: -305.526
where: short stacking energy: -134.948
Base-Backbone interact. energy: 1.157
local terms energy: -124.491687
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -38.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -356.929692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.929692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.929692 (E_RNA)
where:
Base-Base interactions energy: -234.904
where: short stacking energy: -114.239
Base-Backbone interact. energy: -2.186
local terms energy: -119.840071
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -27.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -333.452058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.452058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.452058 (E_RNA)
where:
Base-Base interactions energy: -233.524
where: short stacking energy: -95.594
Base-Backbone interact. energy: -2.873
local terms energy: -97.055535
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -314.284818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.284818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.284818 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -86.960
Base-Backbone interact. energy: 0.094
local terms energy: -109.786888
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -306.098195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.098195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.098195 (E_RNA)
where:
Base-Base interactions energy: -200.113
where: short stacking energy: -89.335
Base-Backbone interact. energy: -0.335
local terms energy: -105.649528
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -28.359
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -24.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -136.525707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.525707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.525707 (E_RNA)
where:
Base-Base interactions energy: -53.328
where: short stacking energy: -52.631
Base-Backbone interact. energy: -0.197
local terms energy: -83.001254
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -28.470
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -7.262
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: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -477.621007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.621007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.621007 (E_RNA)
where:
Base-Base interactions energy: -340.036
where: short stacking energy: -145.717
Base-Backbone interact. energy: -0.616
local terms energy: -136.968576
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -40.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -453.812365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.812365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.812365 (E_RNA)
where:
Base-Base interactions energy: -325.625
where: short stacking energy: -133.782
Base-Backbone interact. energy: 0.052
local terms energy: -128.239986
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -29.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -440.803662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.803662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.803662 (E_RNA)
where:
Base-Base interactions energy: -305.089
where: short stacking energy: -141.171
Base-Backbone interact. energy: -1.171
local terms energy: -134.543710
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -32.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -427.623513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.623513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.623513 (E_RNA)
where:
Base-Base interactions energy: -289.046
where: short stacking energy: -134.362
Base-Backbone interact. energy: -0.255
local terms energy: -138.322696
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -371.932888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.932888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.932888 (E_RNA)
where:
Base-Base interactions energy: -238.685
where: short stacking energy: -120.603
Base-Backbone interact. energy: 1.002
local terms energy: -134.250013
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -37.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -366.353771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.353771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.353771 (E_RNA)
where:
Base-Base interactions energy: -243.059
where: short stacking energy: -117.343
Base-Backbone interact. energy: -0.076
local terms energy: -123.218927
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -31.928
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: 45
Temperature: 1.200000
Total energy: -357.916659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.916659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.916659 (E_RNA)
where:
Base-Base interactions energy: -236.050
where: short stacking energy: -101.362
Base-Backbone interact. energy: -1.618
local terms energy: -120.248305
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -27.118
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -316.086765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.086765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.086765 (E_RNA)
where:
Base-Base interactions energy: -202.012
where: short stacking energy: -100.112
Base-Backbone interact. energy: -0.445
local terms energy: -113.629944
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -28.230
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -301.892368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.892368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.892368 (E_RNA)
where:
Base-Base interactions energy: -199.133
where: short stacking energy: -92.374
Base-Backbone interact. energy: -0.640
local terms energy: -102.119680
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -149.496569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.496569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.496569 (E_RNA)
where:
Base-Base interactions energy: -62.748
where: short stacking energy: -54.872
Base-Backbone interact. energy: -0.876
local terms energy: -85.873002
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -461.019314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.019314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.019314 (E_RNA)
where:
Base-Base interactions energy: -325.526
where: short stacking energy: -142.933
Base-Backbone interact. energy: 1.126
local terms energy: -136.619476
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -34.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -472.325291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.325291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.325291 (E_RNA)
where:
Base-Base interactions energy: -331.150
where: short stacking energy: -139.509
Base-Backbone interact. energy: 0.054
local terms energy: -141.229034
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -38.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -453.346426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.346426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.346426 (E_RNA)
where:
Base-Base interactions energy: -310.187
where: short stacking energy: -142.931
Base-Backbone interact. energy: -0.890
local terms energy: -142.269994
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -37.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -433.398534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.398534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.398534 (E_RNA)
where:
Base-Base interactions energy: -297.981
where: short stacking energy: -146.194
Base-Backbone interact. energy: -1.780
local terms energy: -133.637363
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -36.330
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: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -393.960104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.960104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.960104 (E_RNA)
where:
Base-Base interactions energy: -270.947
where: short stacking energy: -130.433
Base-Backbone interact. energy: 0.156
local terms energy: -123.168711
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -31.511
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -351.905432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.905432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.905432 (E_RNA)
where:
Base-Base interactions energy: -228.609
where: short stacking energy: -110.500
Base-Backbone interact. energy: -0.525
local terms energy: -122.772202
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -337.207919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.207919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.207919 (E_RNA)
where:
Base-Base interactions energy: -215.012
where: short stacking energy: -97.776
Base-Backbone interact. energy: -0.936
local terms energy: -121.259703
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -26.876
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: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -336.686534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.686534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.686534 (E_RNA)
where:
Base-Base interactions energy: -230.706
where: short stacking energy: -109.023
Base-Backbone interact. energy: -0.292
local terms energy: -105.688566
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -24.395
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: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -289.473511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.473511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.473511 (E_RNA)
where:
Base-Base interactions energy: -182.814
where: short stacking energy: -81.104
Base-Backbone interact. energy: 0.106
local terms energy: -106.766136
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -150.878070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.878070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.878070 (E_RNA)
where:
Base-Base interactions energy: -56.309
where: short stacking energy: -50.152
Base-Backbone interact. energy: -0.557
local terms energy: -94.012775
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -3.349
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: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -462.103113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.103113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.103113 (E_RNA)
where:
Base-Base interactions energy: -329.959
where: short stacking energy: -139.539
Base-Backbone interact. energy: -2.552
local terms energy: -129.592383
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -31.977
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -453.907793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.907793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.907793 (E_RNA)
where:
Base-Base interactions energy: -317.683
where: short stacking energy: -138.927
Base-Backbone interact. energy: -1.794
local terms energy: -134.430433
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -32.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -460.334140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.334140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.334140 (E_RNA)
where:
Base-Base interactions energy: -317.954
where: short stacking energy: -139.406
Base-Backbone interact. energy: -0.088
local terms energy: -142.292081
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -29.066
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -37.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -412.960075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.960075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.960075 (E_RNA)
where:
Base-Base interactions energy: -279.619
where: short stacking energy: -136.366
Base-Backbone interact. energy: -0.781
local terms energy: -132.559366
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -30.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -384.453040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.453040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.453040 (E_RNA)
where:
Base-Base interactions energy: -271.347
where: short stacking energy: -126.504
Base-Backbone interact. energy: -0.315
local terms energy: -112.791204
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -348.218504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.218504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.218504 (E_RNA)
where:
Base-Base interactions energy: -230.081
where: short stacking energy: -106.956
Base-Backbone interact. energy: -0.359
local terms energy: -117.778886
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -27.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -347.933238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.933238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.933238 (E_RNA)
where:
Base-Base interactions energy: -234.806
where: short stacking energy: -108.222
Base-Backbone interact. energy: -0.340
local terms energy: -112.786868
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -28.061
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: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -342.912182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.912182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.912182 (E_RNA)
where:
Base-Base interactions energy: -248.692
where: short stacking energy: -118.576
Base-Backbone interact. energy: -0.539
local terms energy: -93.680657
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -303.879106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.879106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.879106 (E_RNA)
where:
Base-Base interactions energy: -194.173
where: short stacking energy: -98.038
Base-Backbone interact. energy: -0.659
local terms energy: -109.047466
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -135.531577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.531577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.531577 (E_RNA)
where:
Base-Base interactions energy: -49.546
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.319
local terms energy: -85.666538
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -2.056
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: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -471.785022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.785022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.785022 (E_RNA)
where:
Base-Base interactions energy: -326.020
where: short stacking energy: -139.344
Base-Backbone interact. energy: 0.083
local terms energy: -145.847618
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -443.703895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.703895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.703895 (E_RNA)
where:
Base-Base interactions energy: -312.552
where: short stacking energy: -140.274
Base-Backbone interact. energy: 1.887
local terms energy: -133.038070
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -33.396
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: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -464.188586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.188586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.188586 (E_RNA)
where:
Base-Base interactions energy: -331.395
where: short stacking energy: -137.853
Base-Backbone interact. energy: -0.105
local terms energy: -132.688161
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -35.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -387.718822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.718822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.718822 (E_RNA)
where:
Base-Base interactions energy: -259.969
where: short stacking energy: -129.682
Base-Backbone interact. energy: 0.467
local terms energy: -128.216732
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -32.306
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: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -399.128203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.128203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.128203 (E_RNA)
where:
Base-Base interactions energy: -294.137
where: short stacking energy: -116.249
Base-Backbone interact. energy: -1.527
local terms energy: -103.464253
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -376.397346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.397346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.397346 (E_RNA)
where:
Base-Base interactions energy: -252.316
where: short stacking energy: -118.795
Base-Backbone interact. energy: -0.018
local terms energy: -124.063387
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -27.930
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -350.353732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.353732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.353732 (E_RNA)
where:
Base-Base interactions energy: -237.088
where: short stacking energy: -98.050
Base-Backbone interact. energy: -0.180
local terms energy: -113.085538
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -289.808818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.808818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.808818 (E_RNA)
where:
Base-Base interactions energy: -173.727
where: short stacking energy: -89.194
Base-Backbone interact. energy: -0.077
local terms energy: -116.005147
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -293.100956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.100956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.100956 (E_RNA)
where:
Base-Base interactions energy: -184.889
where: short stacking energy: -91.755
Base-Backbone interact. energy: -0.882
local terms energy: -107.330413
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -16.800
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: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -149.155461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.155461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.155461 (E_RNA)
where:
Base-Base interactions energy: -56.183
where: short stacking energy: -52.857
Base-Backbone interact. energy: -1.331
local terms energy: -91.641529
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -9.236
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: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -489.446202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.446202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.446202 (E_RNA)
where:
Base-Base interactions energy: -338.164
where: short stacking energy: -134.319
Base-Backbone interact. energy: 0.387
local terms energy: -151.668512
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -31.334
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -22.276
tors. eta vs tors. theta energy: -39.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -469.340082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.340082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.340082 (E_RNA)
where:
Base-Base interactions energy: -326.733
where: short stacking energy: -138.621
Base-Backbone interact. energy: -2.189
local terms energy: -140.417363
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -37.503
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: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -446.650613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.650613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.650613 (E_RNA)
where:
Base-Base interactions energy: -322.381
where: short stacking energy: -144.945
Base-Backbone interact. energy: -0.849
local terms energy: -123.420754
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -402.607810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.607810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.607810 (E_RNA)
where:
Base-Base interactions energy: -273.605
where: short stacking energy: -108.856
Base-Backbone interact. energy: -2.319
local terms energy: -126.683536
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -22.241
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: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -380.082693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.082693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.082693 (E_RNA)
where:
Base-Base interactions energy: -259.805
where: short stacking energy: -128.284
Base-Backbone interact. energy: -0.326
local terms energy: -119.951085
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -29.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -375.242838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.242838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.242838 (E_RNA)
where:
Base-Base interactions energy: -255.289
where: short stacking energy: -129.804
Base-Backbone interact. energy: -0.478
local terms energy: -119.476137
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -30.088
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: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -352.641346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.641346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.641346 (E_RNA)
where:
Base-Base interactions energy: -233.771
where: short stacking energy: -113.005
Base-Backbone interact. energy: 0.577
local terms energy: -119.447126
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -30.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -279.176183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.176183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.176183 (E_RNA)
where:
Base-Base interactions energy: -180.194
where: short stacking energy: -77.133
Base-Backbone interact. energy: -0.017
local terms energy: -98.965836
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -266.855817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.855817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.855817 (E_RNA)
where:
Base-Base interactions energy: -165.721
where: short stacking energy: -82.360
Base-Backbone interact. energy: -0.260
local terms energy: -100.875006
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -157.106646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.106646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.106646 (E_RNA)
where:
Base-Base interactions energy: -71.293
where: short stacking energy: -45.032
Base-Backbone interact. energy: -0.507
local terms energy: -85.306710
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -4.041
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: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -478.368341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.368341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.368341 (E_RNA)
where:
Base-Base interactions energy: -332.339
where: short stacking energy: -151.538
Base-Backbone interact. energy: -1.270
local terms energy: -144.759861
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -37.268
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: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -478.395687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.395687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.395687 (E_RNA)
where:
Base-Base interactions energy: -338.835
where: short stacking energy: -136.035
Base-Backbone interact. energy: -1.478
local terms energy: -138.082785
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -33.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -445.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.519813 (E_RNA)
where:
Base-Base interactions energy: -326.104
where: short stacking energy: -148.580
Base-Backbone interact. energy: 1.773
local terms energy: -121.188851
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -399.217179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.217179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.217179 (E_RNA)
where:
Base-Base interactions energy: -286.489
where: short stacking energy: -120.161
Base-Backbone interact. energy: -0.598
local terms energy: -112.130297
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -378.022007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.022007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.022007 (E_RNA)
where:
Base-Base interactions energy: -259.435
where: short stacking energy: -116.886
Base-Backbone interact. energy: -1.267
local terms energy: -117.320300
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -366.000449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.000449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.000449 (E_RNA)
where:
Base-Base interactions energy: -255.061
where: short stacking energy: -113.550
Base-Backbone interact. energy: -1.092
local terms energy: -109.847648
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -22.679
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -320.334711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.334711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.334711 (E_RNA)
where:
Base-Base interactions energy: -222.487
where: short stacking energy: -103.153
Base-Backbone interact. energy: -0.571
local terms energy: -97.276732
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -302.650696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.650696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.650696 (E_RNA)
where:
Base-Base interactions energy: -189.099
where: short stacking energy: -90.003
Base-Backbone interact. energy: -0.632
local terms energy: -112.919446
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -21.762
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: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -269.612456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.612456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.612456 (E_RNA)
where:
Base-Base interactions energy: -175.120
where: short stacking energy: -86.116
Base-Backbone interact. energy: -0.502
local terms energy: -93.990516
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -210.799247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.799247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.799247 (E_RNA)
where:
Base-Base interactions energy: -124.247
where: short stacking energy: -72.624
Base-Backbone interact. energy: 0.784
local terms energy: -87.336221
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -471.014784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.014784 (E_RNA)
where:
Base-Base interactions energy: -334.324
where: short stacking energy: -136.005
Base-Backbone interact. energy: -0.687
local terms energy: -136.003801
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -36.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -480.452176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.452176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.452176 (E_RNA)
where:
Base-Base interactions energy: -343.032
where: short stacking energy: -143.894
Base-Backbone interact. energy: -0.829
local terms energy: -136.591288
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -38.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -429.373165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.373165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.373165 (E_RNA)
where:
Base-Base interactions energy: -304.151
where: short stacking energy: -134.932
Base-Backbone interact. energy: 0.065
local terms energy: -125.287086
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -418.713529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.713529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.713529 (E_RNA)
where:
Base-Base interactions energy: -299.405
where: short stacking energy: -126.725
Base-Backbone interact. energy: -0.062
local terms energy: -119.246388
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -29.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -371.230445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.230445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.230445 (E_RNA)
where:
Base-Base interactions energy: -251.018
where: short stacking energy: -114.530
Base-Backbone interact. energy: -0.188
local terms energy: -120.023944
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -29.462
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: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -375.268126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.268126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.268126 (E_RNA)
where:
Base-Base interactions energy: -254.030
where: short stacking energy: -102.281
Base-Backbone interact. energy: 0.803
local terms energy: -122.041251
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -27.412
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -352.673148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.673148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.673148 (E_RNA)
where:
Base-Base interactions energy: -247.298
where: short stacking energy: -108.619
Base-Backbone interact. energy: -0.339
local terms energy: -105.036472
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -315.943419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.943419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.943419 (E_RNA)
where:
Base-Base interactions energy: -209.672
where: short stacking energy: -103.995
Base-Backbone interact. energy: -0.532
local terms energy: -105.738643
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -21.114
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: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -289.965958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.965958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.965958 (E_RNA)
where:
Base-Base interactions energy: -184.466
where: short stacking energy: -79.512
Base-Backbone interact. energy: -0.215
local terms energy: -105.284279
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -228.763817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.763817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.763817 (E_RNA)
where:
Base-Base interactions energy: -131.750
where: short stacking energy: -75.984
Base-Backbone interact. energy: -0.002
local terms energy: -97.012210
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -12.237
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: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -499.418441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.418441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.418441 (E_RNA)
where:
Base-Base interactions energy: -351.736
where: short stacking energy: -145.794
Base-Backbone interact. energy: -1.354
local terms energy: -146.327852
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -461.602509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.602509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.602509 (E_RNA)
where:
Base-Base interactions energy: -324.302
where: short stacking energy: -141.477
Base-Backbone interact. energy: -0.401
local terms energy: -136.899748
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -37.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -443.203111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.203111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.203111 (E_RNA)
where:
Base-Base interactions energy: -318.621
where: short stacking energy: -133.828
Base-Backbone interact. energy: 1.609
local terms energy: -126.190865
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -429.035098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.035098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.035098 (E_RNA)
where:
Base-Base interactions energy: -304.981
where: short stacking energy: -130.541
Base-Backbone interact. energy: 0.638
local terms energy: -124.691745
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -31.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -380.654557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.654557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.654557 (E_RNA)
where:
Base-Base interactions energy: -264.870
where: short stacking energy: -117.887
Base-Backbone interact. energy: -1.175
local terms energy: -114.608947
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -26.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -371.908526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.908526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.908526 (E_RNA)
where:
Base-Base interactions energy: -253.134
where: short stacking energy: -118.380
Base-Backbone interact. energy: -0.725
local terms energy: -118.049610
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -32.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -322.903408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.903408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.903408 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -93.989
Base-Backbone interact. energy: -0.877
local terms energy: -116.574636
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -24.373
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -25.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -319.109948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.109948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.109948 (E_RNA)
where:
Base-Base interactions energy: -208.818
where: short stacking energy: -91.081
Base-Backbone interact. energy: -0.818
local terms energy: -109.473176
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -13.012
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: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -289.632188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.632188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.632188 (E_RNA)
where:
Base-Base interactions energy: -185.407
where: short stacking energy: -87.756
Base-Backbone interact. energy: -0.947
local terms energy: -103.278578
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -236.982803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.982803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.982803 (E_RNA)
where:
Base-Base interactions energy: -143.621
where: short stacking energy: -87.951
Base-Backbone interact. energy: -0.416
local terms energy: -92.945742
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -492.285308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.285308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.285308 (E_RNA)
where:
Base-Base interactions energy: -349.318
where: short stacking energy: -144.913
Base-Backbone interact. energy: -1.279
local terms energy: -141.688918
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -39.097
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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -461.495420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.495420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.495420 (E_RNA)
where:
Base-Base interactions energy: -315.876
where: short stacking energy: -138.484
Base-Backbone interact. energy: -1.257
local terms energy: -144.362515
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -38.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -440.930588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.930588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.930588 (E_RNA)
where:
Base-Base interactions energy: -315.571
where: short stacking energy: -141.881
Base-Backbone interact. energy: 0.915
local terms energy: -126.274276
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -34.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -429.017479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.017479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.017479 (E_RNA)
where:
Base-Base interactions energy: -302.593
where: short stacking energy: -136.329
Base-Backbone interact. energy: -2.189
local terms energy: -124.236015
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -24.665
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -30.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -387.613379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.613379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.613379 (E_RNA)
where:
Base-Base interactions energy: -252.736
where: short stacking energy: -124.313
Base-Backbone interact. energy: -2.051
local terms energy: -132.826513
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: -30.042
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: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -365.463583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.463583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.463583 (E_RNA)
where:
Base-Base interactions energy: -246.941
where: short stacking energy: -114.415
Base-Backbone interact. energy: -1.639
local terms energy: -116.883485
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -337.575590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.575590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.575590 (E_RNA)
where:
Base-Base interactions energy: -216.274
where: short stacking energy: -105.212
Base-Backbone interact. energy: -0.611
local terms energy: -120.690828
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -27.774
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: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -311.620257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.620257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.620257 (E_RNA)
where:
Base-Base interactions energy: -208.787
where: short stacking energy: -92.410
Base-Backbone interact. energy: -0.520
local terms energy: -102.313787
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -12.154
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -257.277876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.277876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.277876 (E_RNA)
where:
Base-Base interactions energy: -162.713
where: short stacking energy: -82.093
Base-Backbone interact. energy: -1.011
local terms energy: -93.554157
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -213.853156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.853156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.853156 (E_RNA)
where:
Base-Base interactions energy: -122.018
where: short stacking energy: -58.709
Base-Backbone interact. energy: 2.123
local terms energy: -93.958759
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -480.350634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.350634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.350634 (E_RNA)
where:
Base-Base interactions energy: -324.747
where: short stacking energy: -150.607
Base-Backbone interact. energy: -0.100
local terms energy: -155.503926
where:
bonds (distance) C4'-P energy: -30.604
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -42.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -485.659348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.659348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.659348 (E_RNA)
where:
Base-Base interactions energy: -341.991
where: short stacking energy: -139.853
Base-Backbone interact. energy: -0.456
local terms energy: -143.212420
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -37.614
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: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -444.026759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.026759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.026759 (E_RNA)
where:
Base-Base interactions energy: -311.954
where: short stacking energy: -133.296
Base-Backbone interact. energy: -0.151
local terms energy: -131.921482
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -32.137
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: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -435.621739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.621739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.621739 (E_RNA)
where:
Base-Base interactions energy: -304.457
where: short stacking energy: -134.955
Base-Backbone interact. energy: -0.641
local terms energy: -130.523989
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -31.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -354.624318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.624318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.624318 (E_RNA)
where:
Base-Base interactions energy: -230.100
where: short stacking energy: -106.760
Base-Backbone interact. energy: -2.247
local terms energy: -122.277273
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -26.832
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -359.479331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.479331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.479331 (E_RNA)
where:
Base-Base interactions energy: -238.619
where: short stacking energy: -100.499
Base-Backbone interact. energy: 0.200
local terms energy: -121.060017
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -316.000222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.000222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.000222 (E_RNA)
where:
Base-Base interactions energy: -216.715
where: short stacking energy: -96.904
Base-Backbone interact. energy: -1.142
local terms energy: -98.143550
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -331.128814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.128814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.128814 (E_RNA)
where:
Base-Base interactions energy: -213.811
where: short stacking energy: -102.876
Base-Backbone interact. energy: -0.969
local terms energy: -116.348530
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -26.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -273.568412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.568412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.568412 (E_RNA)
where:
Base-Base interactions energy: -182.131
where: short stacking energy: -86.607
Base-Backbone interact. energy: -0.600
local terms energy: -90.837152
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -10.641
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: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -210.663990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.663990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.663990 (E_RNA)
where:
Base-Base interactions energy: -117.787
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.351
local terms energy: -92.526348
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -14.437
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: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -479.688635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.688635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.688635 (E_RNA)
where:
Base-Base interactions energy: -334.402
where: short stacking energy: -144.209
Base-Backbone interact. energy: -0.626
local terms energy: -144.661417
where:
bonds (distance) C4'-P energy: -30.197
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -42.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -496.810982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.810982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.810982 (E_RNA)
where:
Base-Base interactions energy: -342.702
where: short stacking energy: -143.757
Base-Backbone interact. energy: -0.297
local terms energy: -153.811445
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -440.873764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.873764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.873764 (E_RNA)
where:
Base-Base interactions energy: -315.524
where: short stacking energy: -144.374
Base-Backbone interact. energy: -1.053
local terms energy: -124.296517
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -35.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -433.125042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.125042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.125042 (E_RNA)
where:
Base-Base interactions energy: -303.683
where: short stacking energy: -124.751
Base-Backbone interact. energy: -0.760
local terms energy: -128.681470
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -33.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -365.124514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.124514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.124514 (E_RNA)
where:
Base-Base interactions energy: -248.101
where: short stacking energy: -116.455
Base-Backbone interact. energy: -0.333
local terms energy: -116.690137
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -24.397
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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -375.342853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.342853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.342853 (E_RNA)
where:
Base-Base interactions energy: -247.165
where: short stacking energy: -111.887
Base-Backbone interact. energy: -0.695
local terms energy: -127.482685
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -29.335
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: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -319.548312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.548312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.548312 (E_RNA)
where:
Base-Base interactions energy: -209.272
where: short stacking energy: -86.131
Base-Backbone interact. energy: -1.827
local terms energy: -108.449006
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -13.831
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: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -337.636664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.636664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.636664 (E_RNA)
where:
Base-Base interactions energy: -222.150
where: short stacking energy: -102.957
Base-Backbone interact. energy: -0.079
local terms energy: -115.408158
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -286.226749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.226749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.226749 (E_RNA)
where:
Base-Base interactions energy: -192.688
where: short stacking energy: -100.267
Base-Backbone interact. energy: -0.816
local terms energy: -92.722577
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -233.257813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.257813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.257813 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.328
local terms energy: -83.119164
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -495.069888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.069888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.069888 (E_RNA)
where:
Base-Base interactions energy: -351.088
where: short stacking energy: -147.797
Base-Backbone interact. energy: -0.593
local terms energy: -143.388793
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -38.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -473.191029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.191029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.191029 (E_RNA)
where:
Base-Base interactions energy: -326.522
where: short stacking energy: -143.769
Base-Backbone interact. energy: -1.442
local terms energy: -145.226901
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -453.065866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.065866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.065866 (E_RNA)
where:
Base-Base interactions energy: -323.096
where: short stacking energy: -140.771
Base-Backbone interact. energy: 0.476
local terms energy: -130.446159
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -38.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -413.730914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.730914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.730914 (E_RNA)
where:
Base-Base interactions energy: -281.909
where: short stacking energy: -119.388
Base-Backbone interact. energy: -0.037
local terms energy: -131.785360
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -32.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -349.401688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.401688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.401688 (E_RNA)
where:
Base-Base interactions energy: -226.962
where: short stacking energy: -107.093
Base-Backbone interact. energy: -0.711
local terms energy: -121.729173
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -25.196
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: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -389.023436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.023436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.023436 (E_RNA)
where:
Base-Base interactions energy: -265.882
where: short stacking energy: -124.227
Base-Backbone interact. energy: 2.233
local terms energy: -125.374157
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -28.043
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -32.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -344.369481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.369481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.369481 (E_RNA)
where:
Base-Base interactions energy: -228.923
where: short stacking energy: -122.784
Base-Backbone interact. energy: -0.417
local terms energy: -115.029504
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -30.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -323.393229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.393229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.393229 (E_RNA)
where:
Base-Base interactions energy: -212.470
where: short stacking energy: -85.412
Base-Backbone interact. energy: -0.496
local terms energy: -110.427490
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -269.635611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.635611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.635611 (E_RNA)
where:
Base-Base interactions energy: -178.988
where: short stacking energy: -83.886
Base-Backbone interact. energy: 1.751
local terms energy: -92.399054
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -16.913
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: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -261.957761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.957761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.957761 (E_RNA)
where:
Base-Base interactions energy: -167.986
where: short stacking energy: -75.915
Base-Backbone interact. energy: -0.308
local terms energy: -93.664478
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -500.288109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.288109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.288109 (E_RNA)
where:
Base-Base interactions energy: -359.428
where: short stacking energy: -144.544
Base-Backbone interact. energy: -0.972
local terms energy: -139.887783
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -37.492
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -467.895464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.895464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.895464 (E_RNA)
where:
Base-Base interactions energy: -333.444
where: short stacking energy: -152.831
Base-Backbone interact. energy: -0.167
local terms energy: -134.284299
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -39.304
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: 57
Temperature: 1.000000
Total energy: -436.843420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.843420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.843420 (E_RNA)
where:
Base-Base interactions energy: -315.834
where: short stacking energy: -142.967
Base-Backbone interact. energy: 0.895
local terms energy: -121.904919
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -426.155112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.155112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.155112 (E_RNA)
where:
Base-Base interactions energy: -299.258
where: short stacking energy: -141.910
Base-Backbone interact. energy: -1.160
local terms energy: -125.736799
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -32.051
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: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -351.589823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.589823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.589823 (E_RNA)
where:
Base-Base interactions energy: -232.762
where: short stacking energy: -114.113
Base-Backbone interact. energy: -0.065
local terms energy: -118.763594
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -29.340
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: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -408.227192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.227192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.227192 (E_RNA)
where:
Base-Base interactions energy: -273.221
where: short stacking energy: -123.181
Base-Backbone interact. energy: -0.113
local terms energy: -134.893312
where:
bonds (distance) C4'-P energy: -28.892
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -31.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -329.670849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.670849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.670849 (E_RNA)
where:
Base-Base interactions energy: -220.336
where: short stacking energy: -96.357
Base-Backbone interact. energy: -0.988
local terms energy: -108.346975
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -344.300416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.300416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.300416 (E_RNA)
where:
Base-Base interactions energy: -240.927
where: short stacking energy: -101.081
Base-Backbone interact. energy: 0.313
local terms energy: -103.685793
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -233.409232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.409232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.409232 (E_RNA)
where:
Base-Base interactions energy: -146.651
where: short stacking energy: -77.551
Base-Backbone interact. energy: -0.442
local terms energy: -86.316764
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -9.340
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: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -243.820992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.820992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.820992 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -87.891
Base-Backbone interact. energy: -0.312
local terms energy: -91.587846
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -484.241102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.241102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.241102 (E_RNA)
where:
Base-Base interactions energy: -337.713
where: short stacking energy: -143.303
Base-Backbone interact. energy: -0.224
local terms energy: -146.303748
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -38.250
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: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -478.384854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.384854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.384854 (E_RNA)
where:
Base-Base interactions energy: -340.708
where: short stacking energy: -142.785
Base-Backbone interact. energy: 2.172
local terms energy: -139.848887
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -34.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -431.960989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.960989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.960989 (E_RNA)
where:
Base-Base interactions energy: -307.543
where: short stacking energy: -141.408
Base-Backbone interact. energy: -0.753
local terms energy: -123.665051
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -31.662
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -423.157585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.157585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.157585 (E_RNA)
where:
Base-Base interactions energy: -295.888
where: short stacking energy: -138.897
Base-Backbone interact. energy: -0.707
local terms energy: -126.562504
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -36.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -414.040069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.040069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.040069 (E_RNA)
where:
Base-Base interactions energy: -286.470
where: short stacking energy: -132.536
Base-Backbone interact. energy: -0.179
local terms energy: -127.392023
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -38.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -330.722595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.722595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.722595 (E_RNA)
where:
Base-Base interactions energy: -216.737
where: short stacking energy: -97.354
Base-Backbone interact. energy: -0.426
local terms energy: -113.559004
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -356.198487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.198487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.198487 (E_RNA)
where:
Base-Base interactions energy: -225.726
where: short stacking energy: -102.212
Base-Backbone interact. energy: -0.729
local terms energy: -129.743784
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -310.975796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.975796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.975796 (E_RNA)
where:
Base-Base interactions energy: -209.563
where: short stacking energy: -109.830
Base-Backbone interact. energy: -0.026
local terms energy: -101.386747
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -29.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -258.400878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.400878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.400878 (E_RNA)
where:
Base-Base interactions energy: -152.290
where: short stacking energy: -81.686
Base-Backbone interact. energy: -0.321
local terms energy: -105.790334
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -18.531
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -250.153886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.153886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.153886 (E_RNA)
where:
Base-Base interactions energy: -158.191
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.091
local terms energy: -91.872676
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -482.576811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.576811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.576811 (E_RNA)
where:
Base-Base interactions energy: -339.331
where: short stacking energy: -153.751
Base-Backbone interact. energy: -1.193
local terms energy: -142.053343
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -39.796
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -489.889189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.889189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.889189 (E_RNA)
where:
Base-Base interactions energy: -347.663
where: short stacking energy: -147.309
Base-Backbone interact. energy: -1.439
local terms energy: -140.787193
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -34.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -442.395461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.395461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.395461 (E_RNA)
where:
Base-Base interactions energy: -300.955
where: short stacking energy: -124.868
Base-Backbone interact. energy: -1.382
local terms energy: -140.058504
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -410.419240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.419240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.419240 (E_RNA)
where:
Base-Base interactions energy: -281.890
where: short stacking energy: -141.319
Base-Backbone interact. energy: -0.263
local terms energy: -128.265678
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -34.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -407.587782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.587782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.587782 (E_RNA)
where:
Base-Base interactions energy: -272.440
where: short stacking energy: -118.709
Base-Backbone interact. energy: -0.129
local terms energy: -135.018856
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -368.475392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.475392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.475392 (E_RNA)
where:
Base-Base interactions energy: -247.799
where: short stacking energy: -109.244
Base-Backbone interact. energy: -2.247
local terms energy: -118.429514
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -30.097
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: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -356.876181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.876181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.876181 (E_RNA)
where:
Base-Base interactions energy: -240.057
where: short stacking energy: -113.527
Base-Backbone interact. energy: -1.189
local terms energy: -115.630159
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -30.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -258.674615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.674615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.674615 (E_RNA)
where:
Base-Base interactions energy: -157.075
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.238
local terms energy: -101.361543
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -9.318
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: 59
Temperature: 1.300000
Total energy: -262.904861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.904861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.904861 (E_RNA)
where:
Base-Base interactions energy: -168.907
where: short stacking energy: -78.639
Base-Backbone interact. energy: -0.223
local terms energy: -93.774777
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -21.328
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: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -242.539887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.539887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.539887 (E_RNA)
where:
Base-Base interactions energy: -139.180
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.403
local terms energy: -102.956412
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -492.730921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.730921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.730921 (E_RNA)
where:
Base-Base interactions energy: -350.739
where: short stacking energy: -146.590
Base-Backbone interact. energy: -1.956
local terms energy: -140.036091
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -36.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -468.095005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.095005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.095005 (E_RNA)
where:
Base-Base interactions energy: -327.902
where: short stacking energy: -142.957
Base-Backbone interact. energy: -0.907
local terms energy: -139.286726
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -39.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -418.780359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.780359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.780359 (E_RNA)
where:
Base-Base interactions energy: -288.760
where: short stacking energy: -144.246
Base-Backbone interact. energy: -0.825
local terms energy: -129.195324
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -38.975
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: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -447.645620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.645620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.645620 (E_RNA)
where:
Base-Base interactions energy: -314.987
where: short stacking energy: -145.331
Base-Backbone interact. energy: -0.962
local terms energy: -131.696129
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -35.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -409.163537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.163537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.163537 (E_RNA)
where:
Base-Base interactions energy: -286.356
where: short stacking energy: -131.721
Base-Backbone interact. energy: -1.271
local terms energy: -121.536455
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -35.204
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: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -389.941752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.941752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.941752 (E_RNA)
where:
Base-Base interactions energy: -258.302
where: short stacking energy: -120.526
Base-Backbone interact. energy: -0.336
local terms energy: -131.303469
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -33.563
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: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -342.921015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.921015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.921015 (E_RNA)
where:
Base-Base interactions energy: -235.997
where: short stacking energy: -107.874
Base-Backbone interact. energy: -0.413
local terms energy: -106.511230
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -250.285987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.285987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.285987 (E_RNA)
where:
Base-Base interactions energy: -166.441
where: short stacking energy: -86.909
Base-Backbone interact. energy: -1.603
local terms energy: -82.241660
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.492
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: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -273.411664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.411664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.411664 (E_RNA)
where:
Base-Base interactions energy: -174.042
where: short stacking energy: -84.629
Base-Backbone interact. energy: -1.559
local terms energy: -97.810223
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -218.100389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.100389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.100389 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -79.301
Base-Backbone interact. energy: -0.043
local terms energy: -77.751446
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -491.629072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.629072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.629072 (E_RNA)
where:
Base-Base interactions energy: -344.554
where: short stacking energy: -146.059
Base-Backbone interact. energy: -0.605
local terms energy: -146.470510
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -39.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -477.757187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.757187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.757187 (E_RNA)
where:
Base-Base interactions energy: -340.783
where: short stacking energy: -151.931
Base-Backbone interact. energy: -0.371
local terms energy: -136.603192
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -39.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -431.274690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.274690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.274690 (E_RNA)
where:
Base-Base interactions energy: -301.171
where: short stacking energy: -148.608
Base-Backbone interact. energy: -0.115
local terms energy: -129.988178
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -430.021867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.021867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.021867 (E_RNA)
where:
Base-Base interactions energy: -293.709
where: short stacking energy: -128.053
Base-Backbone interact. energy: -0.591
local terms energy: -135.721757
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -32.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -392.551782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.551782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.551782 (E_RNA)
where:
Base-Base interactions energy: -281.700
where: short stacking energy: -109.457
Base-Backbone interact. energy: -0.313
local terms energy: -110.539322
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -21.475
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: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -352.844154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.844154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.844154 (E_RNA)
where:
Base-Base interactions energy: -247.695
where: short stacking energy: -120.308
Base-Backbone interact. energy: 0.497
local terms energy: -105.646303
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -372.120439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.120439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.120439 (E_RNA)
where:
Base-Base interactions energy: -263.817
where: short stacking energy: -115.274
Base-Backbone interact. energy: -0.617
local terms energy: -107.686308
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -26.234
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: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -293.544629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.544629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.544629 (E_RNA)
where:
Base-Base interactions energy: -186.609
where: short stacking energy: -102.285
Base-Backbone interact. energy: -0.275
local terms energy: -106.659822
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -265.090536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.090536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.090536 (E_RNA)
where:
Base-Base interactions energy: -174.453
where: short stacking energy: -97.676
Base-Backbone interact. energy: 0.330
local terms energy: -90.967888
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -12.602
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: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -229.477210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.477210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.477210 (E_RNA)
where:
Base-Base interactions energy: -140.681
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.880
local terms energy: -87.916737
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -12.896
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: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -481.895894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.895894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.895894 (E_RNA)
where:
Base-Base interactions energy: -343.958
where: short stacking energy: -154.351
Base-Backbone interact. energy: -0.127
local terms energy: -137.811414
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -41.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -479.609961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.609961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.609961 (E_RNA)
where:
Base-Base interactions energy: -343.495
where: short stacking energy: -150.167
Base-Backbone interact. energy: -1.336
local terms energy: -134.778595
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -34.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -437.841035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.841035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.841035 (E_RNA)
where:
Base-Base interactions energy: -311.911
where: short stacking energy: -126.562
Base-Backbone interact. energy: -0.398
local terms energy: -125.532266
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -419.071494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.071494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.071494 (E_RNA)
where:
Base-Base interactions energy: -284.025
where: short stacking energy: -131.907
Base-Backbone interact. energy: -1.410
local terms energy: -133.636286
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -31.091
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -390.977489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.977489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.977489 (E_RNA)
where:
Base-Base interactions energy: -257.340
where: short stacking energy: -131.198
Base-Backbone interact. energy: 0.262
local terms energy: -133.899737
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -36.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -380.542157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.542157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.542157 (E_RNA)
where:
Base-Base interactions energy: -252.044
where: short stacking energy: -126.518
Base-Backbone interact. energy: -0.436
local terms energy: -128.062376
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -36.547
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: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -363.015614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.015614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.015614 (E_RNA)
where:
Base-Base interactions energy: -252.628
where: short stacking energy: -111.784
Base-Backbone interact. energy: 2.971
local terms energy: -113.359265
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -21.631
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: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -311.297538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.297538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.297538 (E_RNA)
where:
Base-Base interactions energy: -208.106
where: short stacking energy: -109.549
Base-Backbone interact. energy: 1.362
local terms energy: -104.553440
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -13.146
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: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -269.447464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.447464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.447464 (E_RNA)
where:
Base-Base interactions energy: -187.536
where: short stacking energy: -78.638
Base-Backbone interact. energy: -0.537
local terms energy: -81.374565
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -10.128
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: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -247.458527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.458527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.458527 (E_RNA)
where:
Base-Base interactions energy: -154.100
where: short stacking energy: -80.491
Base-Backbone interact. energy: -0.665
local terms energy: -92.692583
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -12.270
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: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -476.437449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.437449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.437449 (E_RNA)
where:
Base-Base interactions energy: -340.401
where: short stacking energy: -144.841
Base-Backbone interact. energy: 0.655
local terms energy: -136.691069
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -38.840
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -480.404723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.404723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.404723 (E_RNA)
where:
Base-Base interactions energy: -350.665
where: short stacking energy: -149.197
Base-Backbone interact. energy: -0.199
local terms energy: -129.541006
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -35.865
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: 63
Temperature: 1.000000
Total energy: -436.032264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.032264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.032264 (E_RNA)
where:
Base-Base interactions energy: -311.609
where: short stacking energy: -134.235
Base-Backbone interact. energy: 2.637
local terms energy: -127.060051
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -30.293
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: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -408.514782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.514782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.514782 (E_RNA)
where:
Base-Base interactions energy: -275.261
where: short stacking energy: -134.262
Base-Backbone interact. energy: -0.155
local terms energy: -133.098392
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -34.669
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: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -369.172290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.172290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.172290 (E_RNA)
where:
Base-Base interactions energy: -253.859
where: short stacking energy: -116.631
Base-Backbone interact. energy: -1.524
local terms energy: -113.789288
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -31.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -386.582460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.582460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.582460 (E_RNA)
where:
Base-Base interactions energy: -261.978
where: short stacking energy: -127.692
Base-Backbone interact. energy: -0.449
local terms energy: -124.154909
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -30.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -364.867188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.867188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.867188 (E_RNA)
where:
Base-Base interactions energy: -250.804
where: short stacking energy: -105.758
Base-Backbone interact. energy: 0.017
local terms energy: -114.079637
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -27.482
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: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -268.229368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.229368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.229368 (E_RNA)
where:
Base-Base interactions energy: -182.531
where: short stacking energy: -83.840
Base-Backbone interact. energy: -0.311
local terms energy: -85.387512
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -10.177
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: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -270.144861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.144861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.144861 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -96.086
Base-Backbone interact. energy: -0.296
local terms energy: -101.004041
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -27.054
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -19.472
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: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -262.816794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.816794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.816794 (E_RNA)
where:
Base-Base interactions energy: -179.298
where: short stacking energy: -77.699
Base-Backbone interact. energy: -0.361
local terms energy: -83.157210
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -499.850358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.850358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.850358 (E_RNA)
where:
Base-Base interactions energy: -362.292
where: short stacking energy: -140.222
Base-Backbone interact. energy: -0.589
local terms energy: -136.969451
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -36.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -473.203024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.203024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.203024 (E_RNA)
where:
Base-Base interactions energy: -330.297
where: short stacking energy: -143.480
Base-Backbone interact. energy: -0.874
local terms energy: -142.032196
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -40.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -443.260416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.260416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.260416 (E_RNA)
where:
Base-Base interactions energy: -312.272
where: short stacking energy: -139.279
Base-Backbone interact. energy: -0.875
local terms energy: -130.114333
where:
bonds (distance) C4'-P energy: -28.803
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -29.650
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: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -419.106343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.106343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.106343 (E_RNA)
where:
Base-Base interactions energy: -285.672
where: short stacking energy: -140.036
Base-Backbone interact. energy: -0.405
local terms energy: -133.028472
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -32.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -392.522985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.522985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.522985 (E_RNA)
where:
Base-Base interactions energy: -262.536
where: short stacking energy: -123.187
Base-Backbone interact. energy: -0.794
local terms energy: -129.193469
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -31.382
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: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -387.019881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.019881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.019881 (E_RNA)
where:
Base-Base interactions energy: -267.278
where: short stacking energy: -127.349
Base-Backbone interact. energy: -0.621
local terms energy: -119.120085
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -367.358148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.358148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.358148 (E_RNA)
where:
Base-Base interactions energy: -248.168
where: short stacking energy: -104.282
Base-Backbone interact. energy: -0.385
local terms energy: -118.804628
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -292.404371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.404371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.404371 (E_RNA)
where:
Base-Base interactions energy: -187.139
where: short stacking energy: -109.445
Base-Backbone interact. energy: -0.072
local terms energy: -105.193430
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -299.306844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.306844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.306844 (E_RNA)
where:
Base-Base interactions energy: -204.785
where: short stacking energy: -103.666
Base-Backbone interact. energy: -2.790
local terms energy: -91.732172
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -5.740
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: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -244.945952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.945952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.945952 (E_RNA)
where:
Base-Base interactions energy: -164.251
where: short stacking energy: -76.588
Base-Backbone interact. energy: -1.056
local terms energy: -79.639069
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -28.849
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -505.441331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.441331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.441331 (E_RNA)
where:
Base-Base interactions energy: -373.523
where: short stacking energy: -150.195
Base-Backbone interact. energy: 2.149
local terms energy: -134.067211
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -35.960
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: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -471.354705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.354705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.354705 (E_RNA)
where:
Base-Base interactions energy: -328.314
where: short stacking energy: -147.101
Base-Backbone interact. energy: -0.188
local terms energy: -142.852563
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -39.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -444.665409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.665409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.665409 (E_RNA)
where:
Base-Base interactions energy: -310.214
where: short stacking energy: -135.289
Base-Backbone interact. energy: -0.911
local terms energy: -133.539764
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -422.874134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.874134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.874134 (E_RNA)
where:
Base-Base interactions energy: -293.555
where: short stacking energy: -151.560
Base-Backbone interact. energy: -0.151
local terms energy: -129.168170
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -34.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -372.690426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.690426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.690426 (E_RNA)
where:
Base-Base interactions energy: -247.597
where: short stacking energy: -120.290
Base-Backbone interact. energy: -0.119
local terms energy: -124.974547
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -32.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -397.022609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.022609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.022609 (E_RNA)
where:
Base-Base interactions energy: -281.661
where: short stacking energy: -130.376
Base-Backbone interact. energy: -0.622
local terms energy: -114.740228
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -30.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -371.556697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.556697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.556697 (E_RNA)
where:
Base-Base interactions energy: -238.928
where: short stacking energy: -118.726
Base-Backbone interact. energy: -0.005
local terms energy: -132.623556
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -30.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -319.486997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.486997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.486997 (E_RNA)
where:
Base-Base interactions energy: -221.500
where: short stacking energy: -92.237
Base-Backbone interact. energy: -1.972
local terms energy: -96.015552
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -12.159
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -283.838304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.838304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.838304 (E_RNA)
where:
Base-Base interactions energy: -190.836
where: short stacking energy: -86.922
Base-Backbone interact. energy: -0.186
local terms energy: -92.816170
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -186.559573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559573 (E_RNA)
where:
Base-Base interactions energy: -102.611
where: short stacking energy: -50.008
Base-Backbone interact. energy: -0.362
local terms energy: -83.586381
where:
bonds (distance) C4'-P energy: -26.435
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -497.583836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.583836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.583836 (E_RNA)
where:
Base-Base interactions energy: -351.528
where: short stacking energy: -143.987
Base-Backbone interact. energy: -0.881
local terms energy: -145.174037
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -38.268
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -470.586740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.586740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.586740 (E_RNA)
where:
Base-Base interactions energy: -327.089
where: short stacking energy: -146.816
Base-Backbone interact. energy: 0.847
local terms energy: -144.344557
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -38.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -431.580537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.580537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.580537 (E_RNA)
where:
Base-Base interactions energy: -299.104
where: short stacking energy: -151.434
Base-Backbone interact. energy: 0.344
local terms energy: -132.820603
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -37.283
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: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -440.433859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.433859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.433859 (E_RNA)
where:
Base-Base interactions energy: -315.857
where: short stacking energy: -142.741
Base-Backbone interact. energy: -0.051
local terms energy: -124.525067
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -26.627
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -29.030
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: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -393.503614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.503614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.503614 (E_RNA)
where:
Base-Base interactions energy: -254.141
where: short stacking energy: -117.600
Base-Backbone interact. energy: -3.107
local terms energy: -136.254925
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -34.051
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: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -363.274193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.274193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.274193 (E_RNA)
where:
Base-Base interactions energy: -229.899
where: short stacking energy: -109.981
Base-Backbone interact. energy: -0.020
local terms energy: -133.355726
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -33.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -365.962590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.962590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.962590 (E_RNA)
where:
Base-Base interactions energy: -247.137
where: short stacking energy: -122.014
Base-Backbone interact. energy: -0.870
local terms energy: -117.955511
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -28.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -294.339887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.339887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.339887 (E_RNA)
where:
Base-Base interactions energy: -192.450
where: short stacking energy: -96.876
Base-Backbone interact. energy: -0.457
local terms energy: -101.433166
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -282.929537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.929537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.929537 (E_RNA)
where:
Base-Base interactions energy: -168.603
where: short stacking energy: -91.789
Base-Backbone interact. energy: -1.266
local terms energy: -113.060041
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -195.358480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.358480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.358480 (E_RNA)
where:
Base-Base interactions energy: -114.587
where: short stacking energy: -58.065
Base-Backbone interact. energy: -0.572
local terms energy: -80.199356
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -485.521128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.521128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.521128 (E_RNA)
where:
Base-Base interactions energy: -351.875
where: short stacking energy: -146.267
Base-Backbone interact. energy: -0.464
local terms energy: -133.181247
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -35.430
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -483.162851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.162851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.162851 (E_RNA)
where:
Base-Base interactions energy: -341.693
where: short stacking energy: -148.892
Base-Backbone interact. energy: -0.484
local terms energy: -140.985995
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -38.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -435.840017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.840017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.840017 (E_RNA)
where:
Base-Base interactions energy: -310.312
where: short stacking energy: -142.441
Base-Backbone interact. energy: -0.142
local terms energy: -125.386084
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -33.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -436.300256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.300256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.300256 (E_RNA)
where:
Base-Base interactions energy: -307.483
where: short stacking energy: -138.360
Base-Backbone interact. energy: 0.546
local terms energy: -129.362576
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -32.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -388.717407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.717407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.717407 (E_RNA)
where:
Base-Base interactions energy: -258.736
where: short stacking energy: -123.977
Base-Backbone interact. energy: -0.551
local terms energy: -129.430637
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -379.009549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.009549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.009549 (E_RNA)
where:
Base-Base interactions energy: -258.435
where: short stacking energy: -122.790
Base-Backbone interact. energy: -0.481
local terms energy: -120.094286
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -24.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -358.728159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.728159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.728159 (E_RNA)
where:
Base-Base interactions energy: -247.656
where: short stacking energy: -122.532
Base-Backbone interact. energy: -1.376
local terms energy: -109.695541
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -29.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -292.793230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.793230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.793230 (E_RNA)
where:
Base-Base interactions energy: -188.898
where: short stacking energy: -96.882
Base-Backbone interact. energy: 0.754
local terms energy: -104.649301
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -265.280021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.280021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.280021 (E_RNA)
where:
Base-Base interactions energy: -159.560
where: short stacking energy: -89.951
Base-Backbone interact. energy: -0.238
local terms energy: -105.481551
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -17.752
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: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -212.114976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.114976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114976 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.623
local terms energy: -82.355433
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -7.111
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: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -495.914712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.914712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.914712 (E_RNA)
where:
Base-Base interactions energy: -351.890
where: short stacking energy: -157.871
Base-Backbone interact. energy: -0.752
local terms energy: -143.272497
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -35.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -484.718568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.718568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.718568 (E_RNA)
where:
Base-Base interactions energy: -345.327
where: short stacking energy: -141.675
Base-Backbone interact. energy: -0.071
local terms energy: -139.320718
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -38.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -445.408038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.408038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.408038 (E_RNA)
where:
Base-Base interactions energy: -315.544
where: short stacking energy: -141.422
Base-Backbone interact. energy: 0.498
local terms energy: -130.362575
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -28.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -420.007980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.007980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.007980 (E_RNA)
where:
Base-Base interactions energy: -291.656
where: short stacking energy: -127.272
Base-Backbone interact. energy: -2.312
local terms energy: -126.040159
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -35.538
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: 68
Temperature: 1.100000
Total energy: -381.008593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.008593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.008593 (E_RNA)
where:
Base-Base interactions energy: -254.323
where: short stacking energy: -113.367
Base-Backbone interact. energy: -1.374
local terms energy: -125.311918
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -388.340814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.340814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.340814 (E_RNA)
where:
Base-Base interactions energy: -256.868
where: short stacking energy: -134.112
Base-Backbone interact. energy: -0.128
local terms energy: -131.344512
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -318.466352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.466352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.466352 (E_RNA)
where:
Base-Base interactions energy: -192.833
where: short stacking energy: -98.479
Base-Backbone interact. energy: -0.338
local terms energy: -125.296012
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -28.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -323.188653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.188653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.188653 (E_RNA)
where:
Base-Base interactions energy: -218.065
where: short stacking energy: -91.595
Base-Backbone interact. energy: -1.207
local terms energy: -103.916206
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -204.934545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.934545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934545 (E_RNA)
where:
Base-Base interactions energy: -105.799
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.594
local terms energy: -98.541451
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -246.068002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.068002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.068002 (E_RNA)
where:
Base-Base interactions energy: -156.000
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.153
local terms energy: -89.914579
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -15.571
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: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -473.484113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.484113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.484113 (E_RNA)
where:
Base-Base interactions energy: -323.237
where: short stacking energy: -142.665
Base-Backbone interact. energy: 0.323
local terms energy: -150.570309
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -37.031
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -482.129023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.129023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.129023 (E_RNA)
where:
Base-Base interactions energy: -345.077
where: short stacking energy: -144.077
Base-Backbone interact. energy: 0.181
local terms energy: -137.232614
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -24.734
tors. eta vs tors. theta energy: -33.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -449.405351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.405351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.405351 (E_RNA)
where:
Base-Base interactions energy: -321.493
where: short stacking energy: -139.842
Base-Backbone interact. energy: 1.549
local terms energy: -129.461017
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -36.066
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -421.707548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.707548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.707548 (E_RNA)
where:
Base-Base interactions energy: -291.036
where: short stacking energy: -126.273
Base-Backbone interact. energy: -0.094
local terms energy: -130.577083
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -33.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -385.629426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.629426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.629426 (E_RNA)
where:
Base-Base interactions energy: -258.556
where: short stacking energy: -115.105
Base-Backbone interact. energy: -0.273
local terms energy: -126.800169
where:
bonds (distance) C4'-P energy: -28.993
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -381.747734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.747734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.747734 (E_RNA)
where:
Base-Base interactions energy: -255.582
where: short stacking energy: -127.062
Base-Backbone interact. energy: -0.780
local terms energy: -125.385667
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -32.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -309.493458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.493458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.493458 (E_RNA)
where:
Base-Base interactions energy: -186.068
where: short stacking energy: -113.979
Base-Backbone interact. energy: -0.037
local terms energy: -123.388196
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -328.698597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.698597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.698597 (E_RNA)
where:
Base-Base interactions energy: -230.174
where: short stacking energy: -98.230
Base-Backbone interact. energy: -1.065
local terms energy: -97.459542
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -213.320450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.320450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320450 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -71.192
Base-Backbone interact. energy: -1.205
local terms energy: -85.950271
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -8.851
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: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -253.651804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.651804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.651804 (E_RNA)
where:
Base-Base interactions energy: -150.241
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.673
local terms energy: -102.737769
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -497.398824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.398824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.398824 (E_RNA)
where:
Base-Base interactions energy: -350.224
where: short stacking energy: -146.070
Base-Backbone interact. energy: -0.841
local terms energy: -146.333439
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -34.204
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -37.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -476.464137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.464137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.464137 (E_RNA)
where:
Base-Base interactions energy: -335.405
where: short stacking energy: -151.941
Base-Backbone interact. energy: 2.539
local terms energy: -143.598224
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -40.661
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: 70
Temperature: 1.000000
Total energy: -452.659358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.659358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.659358 (E_RNA)
where:
Base-Base interactions energy: -324.980
where: short stacking energy: -146.123
Base-Backbone interact. energy: 2.825
local terms energy: -130.503907
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -35.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -425.739194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.739194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.739194 (E_RNA)
where:
Base-Base interactions energy: -299.017
where: short stacking energy: -134.973
Base-Backbone interact. energy: -1.089
local terms energy: -125.633069
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -382.498511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.498511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.498511 (E_RNA)
where:
Base-Base interactions energy: -263.295
where: short stacking energy: -129.441
Base-Backbone interact. energy: 0.183
local terms energy: -119.386715
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -26.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -362.826112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.826112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.826112 (E_RNA)
where:
Base-Base interactions energy: -244.536
where: short stacking energy: -114.940
Base-Backbone interact. energy: 3.859
local terms energy: -122.148559
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -32.073
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: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -335.418121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.418121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.418121 (E_RNA)
where:
Base-Base interactions energy: -226.119
where: short stacking energy: -109.584
Base-Backbone interact. energy: -0.370
local terms energy: -108.929427
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -23.769
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: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -280.138829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.138829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.138829 (E_RNA)
where:
Base-Base interactions energy: -174.648
where: short stacking energy: -82.788
Base-Backbone interact. energy: -0.553
local terms energy: -104.937430
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -242.573358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.573358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.573358 (E_RNA)
where:
Base-Base interactions energy: -153.803
where: short stacking energy: -73.466
Base-Backbone interact. energy: 0.045
local terms energy: -88.815469
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -9.961
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: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -201.424442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.424442 (E_RNA)
where:
Base-Base interactions energy: -99.844
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.609
local terms energy: -100.970929
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -28.306
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -498.018713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.018713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.018713 (E_RNA)
where:
Base-Base interactions energy: -352.041
where: short stacking energy: -150.301
Base-Backbone interact. energy: -1.528
local terms energy: -144.449478
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -37.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -465.346411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.346411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.346411 (E_RNA)
where:
Base-Base interactions energy: -325.395
where: short stacking energy: -144.681
Base-Backbone interact. energy: -1.110
local terms energy: -138.841087
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -37.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -443.447102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.447102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.447102 (E_RNA)
where:
Base-Base interactions energy: -312.104
where: short stacking energy: -138.103
Base-Backbone interact. energy: -0.459
local terms energy: -130.884085
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -31.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -423.946792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.946792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.946792 (E_RNA)
where:
Base-Base interactions energy: -306.339
where: short stacking energy: -123.701
Base-Backbone interact. energy: -1.532
local terms energy: -116.075994
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -29.458
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -26.048
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: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -394.789644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.789644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.789644 (E_RNA)
where:
Base-Base interactions energy: -275.355
where: short stacking energy: -132.494
Base-Backbone interact. energy: -0.310
local terms energy: -119.125114
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -36.512
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: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -387.454946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.454946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.454946 (E_RNA)
where:
Base-Base interactions energy: -253.558
where: short stacking energy: -127.914
Base-Backbone interact. energy: -1.255
local terms energy: -132.641740
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -35.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -334.425933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.425933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.425933 (E_RNA)
where:
Base-Base interactions energy: -219.935
where: short stacking energy: -104.618
Base-Backbone interact. energy: -2.917
local terms energy: -111.573845
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -297.323701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.323701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.323701 (E_RNA)
where:
Base-Base interactions energy: -200.122
where: short stacking energy: -98.984
Base-Backbone interact. energy: 2.556
local terms energy: -99.757137
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -22.569
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: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -242.910682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.910682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.910682 (E_RNA)
where:
Base-Base interactions energy: -153.290
where: short stacking energy: -91.327
Base-Backbone interact. energy: -0.363
local terms energy: -89.257402
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -189.829328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829328 (E_RNA)
where:
Base-Base interactions energy: -109.510
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.643
local terms energy: -79.676342
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -499.804401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.804401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.804401 (E_RNA)
where:
Base-Base interactions energy: -353.539
where: short stacking energy: -150.906
Base-Backbone interact. energy: -2.592
local terms energy: -143.674154
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -39.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -465.026496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.026496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.026496 (E_RNA)
where:
Base-Base interactions energy: -323.179
where: short stacking energy: -139.906
Base-Backbone interact. energy: -0.653
local terms energy: -141.194770
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -450.471374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.471374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.471374 (E_RNA)
where:
Base-Base interactions energy: -322.614
where: short stacking energy: -149.389
Base-Backbone interact. energy: 0.129
local terms energy: -127.986406
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -30.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -412.519553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.519553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.519553 (E_RNA)
where:
Base-Base interactions energy: -290.145
where: short stacking energy: -124.978
Base-Backbone interact. energy: -1.243
local terms energy: -121.130635
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -24.521
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: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -399.782734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.782734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.782734 (E_RNA)
where:
Base-Base interactions energy: -262.580
where: short stacking energy: -131.586
Base-Backbone interact. energy: -1.342
local terms energy: -135.860285
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -39.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -385.032212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.032212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.032212 (E_RNA)
where:
Base-Base interactions energy: -258.436
where: short stacking energy: -127.895
Base-Backbone interact. energy: -0.171
local terms energy: -126.425216
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -330.980855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.980855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.980855 (E_RNA)
where:
Base-Base interactions energy: -216.205
where: short stacking energy: -113.890
Base-Backbone interact. energy: -0.021
local terms energy: -114.754617
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -26.628
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: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -339.958191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.958191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.958191 (E_RNA)
where:
Base-Base interactions energy: -228.190
where: short stacking energy: -107.891
Base-Backbone interact. energy: -1.315
local terms energy: -110.453280
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -26.162
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: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -207.712173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.712173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.712173 (E_RNA)
where:
Base-Base interactions energy: -119.059
where: short stacking energy: -77.987
Base-Backbone interact. energy: -0.446
local terms energy: -88.206351
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -233.937274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.937274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.937274 (E_RNA)
where:
Base-Base interactions energy: -139.007
where: short stacking energy: -75.990
Base-Backbone interact. energy: -0.535
local terms energy: -94.395812
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -497.758363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.758363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.758363 (E_RNA)
where:
Base-Base interactions energy: -353.730
where: short stacking energy: -148.607
Base-Backbone interact. energy: -1.100
local terms energy: -142.928137
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -38.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -461.132951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.132951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.132951 (E_RNA)
where:
Base-Base interactions energy: -326.063
where: short stacking energy: -145.774
Base-Backbone interact. energy: 2.144
local terms energy: -137.213809
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -460.309399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.309399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.309399 (E_RNA)
where:
Base-Base interactions energy: -320.278
where: short stacking energy: -156.831
Base-Backbone interact. energy: -0.874
local terms energy: -139.157362
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -40.527
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -414.607045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.607045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.607045 (E_RNA)
where:
Base-Base interactions energy: -288.784
where: short stacking energy: -131.103
Base-Backbone interact. energy: -0.590
local terms energy: -125.232433
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -29.097
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: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -415.891265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.891265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.891265 (E_RNA)
where:
Base-Base interactions energy: -292.634
where: short stacking energy: -121.910
Base-Backbone interact. energy: -0.770
local terms energy: -122.487516
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -358.968108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.968108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.968108 (E_RNA)
where:
Base-Base interactions energy: -230.306
where: short stacking energy: -120.082
Base-Backbone interact. energy: -0.606
local terms energy: -128.056871
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -32.734
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: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -370.970836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.970836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.970836 (E_RNA)
where:
Base-Base interactions energy: -239.134
where: short stacking energy: -117.156
Base-Backbone interact. energy: -0.041
local terms energy: -131.796182
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -29.592
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: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -335.720899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.720899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.720899 (E_RNA)
where:
Base-Base interactions energy: -233.021
where: short stacking energy: -113.933
Base-Backbone interact. energy: 2.133
local terms energy: -104.832564
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -200.828860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.828860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.828860 (E_RNA)
where:
Base-Base interactions energy: -95.704
where: short stacking energy: -54.094
Base-Backbone interact. energy: -1.258
local terms energy: -103.867530
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -228.762179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.762179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.762179 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -87.519
Base-Backbone interact. energy: -0.328
local terms energy: -88.726621
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -495.975820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.975820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.975820 (E_RNA)
where:
Base-Base interactions energy: -347.804
where: short stacking energy: -144.994
Base-Backbone interact. energy: -1.100
local terms energy: -147.072567
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -37.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -429.331691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.331691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.331691 (E_RNA)
where:
Base-Base interactions energy: -305.074
where: short stacking energy: -141.756
Base-Backbone interact. energy: -1.712
local terms energy: -122.545187
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -33.685
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: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -460.399079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.399079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.399079 (E_RNA)
where:
Base-Base interactions energy: -320.449
where: short stacking energy: -156.692
Base-Backbone interact. energy: -0.358
local terms energy: -139.591378
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -37.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -441.713241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.713241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.713241 (E_RNA)
where:
Base-Base interactions energy: -317.032
where: short stacking energy: -146.246
Base-Backbone interact. energy: -0.086
local terms energy: -124.594563
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -34.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -423.291565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.291565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.291565 (E_RNA)
where:
Base-Base interactions energy: -310.087
where: short stacking energy: -131.123
Base-Backbone interact. energy: -1.159
local terms energy: -112.045901
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -374.737874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.737874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.737874 (E_RNA)
where:
Base-Base interactions energy: -257.675
where: short stacking energy: -110.387
Base-Backbone interact. energy: -0.554
local terms energy: -116.509134
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -25.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -369.852176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.852176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.852176 (E_RNA)
where:
Base-Base interactions energy: -248.815
where: short stacking energy: -116.117
Base-Backbone interact. energy: -0.045
local terms energy: -120.992331
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -24.090
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -24.400
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: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -330.402161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.402161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.402161 (E_RNA)
where:
Base-Base interactions energy: -216.839
where: short stacking energy: -115.065
Base-Backbone interact. energy: -0.246
local terms energy: -113.317125
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -258.587867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.587867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.587867 (E_RNA)
where:
Base-Base interactions energy: -157.900
where: short stacking energy: -85.583
Base-Backbone interact. energy: -1.032
local terms energy: -99.656214
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -205.076162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.076162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.076162 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -63.021
Base-Backbone interact. energy: -0.356
local terms energy: -75.579957
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -5.231
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: 75
Temperature: 0.900000
Total energy: -501.692116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.692116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.692116 (E_RNA)
where:
Base-Base interactions energy: -358.405
where: short stacking energy: -146.478
Base-Backbone interact. energy: -0.206
local terms energy: -143.081064
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -36.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -473.309039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.309039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.309039 (E_RNA)
where:
Base-Base interactions energy: -326.057
where: short stacking energy: -155.926
Base-Backbone interact. energy: -0.141
local terms energy: -147.110769
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -40.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -430.565766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.565766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.565766 (E_RNA)
where:
Base-Base interactions energy: -307.730
where: short stacking energy: -130.497
Base-Backbone interact. energy: -0.150
local terms energy: -122.685801
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -451.496848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.496848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.496848 (E_RNA)
where:
Base-Base interactions energy: -318.555
where: short stacking energy: -146.460
Base-Backbone interact. energy: 0.389
local terms energy: -133.331008
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -416.300712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.300712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.300712 (E_RNA)
where:
Base-Base interactions energy: -293.605
where: short stacking energy: -122.373
Base-Backbone interact. energy: -0.781
local terms energy: -121.915155
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -392.869028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.869028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.869028 (E_RNA)
where:
Base-Base interactions energy: -275.401
where: short stacking energy: -111.299
Base-Backbone interact. energy: -1.820
local terms energy: -115.648534
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -337.648056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.648056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.648056 (E_RNA)
where:
Base-Base interactions energy: -241.346
where: short stacking energy: -112.378
Base-Backbone interact. energy: -0.284
local terms energy: -96.017805
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -23.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -287.110338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.110338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.110338 (E_RNA)
where:
Base-Base interactions energy: -182.856
where: short stacking energy: -80.344
Base-Backbone interact. energy: -1.613
local terms energy: -102.640743
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -16.757
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: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -296.535014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.535014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.535014 (E_RNA)
where:
Base-Base interactions energy: -204.892
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.454
local terms energy: -91.189409
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.648
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: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -159.622209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.622209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.622209 (E_RNA)
where:
Base-Base interactions energy: -86.512
where: short stacking energy: -51.969
Base-Backbone interact. energy: 0.007
local terms energy: -73.116876
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -491.619207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.619207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.619207 (E_RNA)
where:
Base-Base interactions energy: -344.749
where: short stacking energy: -147.424
Base-Backbone interact. energy: -0.264
local terms energy: -146.606185
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -37.657
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -459.531439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.531439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.531439 (E_RNA)
where:
Base-Base interactions energy: -322.773
where: short stacking energy: -148.211
Base-Backbone interact. energy: -1.255
local terms energy: -135.503372
where:
bonds (distance) C4'-P energy: -26.227
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -36.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -457.665235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.665235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.665235 (E_RNA)
where:
Base-Base interactions energy: -315.087
where: short stacking energy: -142.526
Base-Backbone interact. energy: -2.785
local terms energy: -139.792985
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -23.489
tors. eta vs tors. theta energy: -35.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -430.948678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.948678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.948678 (E_RNA)
where:
Base-Base interactions energy: -304.109
where: short stacking energy: -133.637
Base-Backbone interact. energy: -1.614
local terms energy: -125.225657
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -34.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -416.123864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.123864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.123864 (E_RNA)
where:
Base-Base interactions energy: -283.573
where: short stacking energy: -112.721
Base-Backbone interact. energy: -2.239
local terms energy: -130.312042
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -32.541
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: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -386.039275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.039275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.039275 (E_RNA)
where:
Base-Base interactions energy: -269.827
where: short stacking energy: -107.598
Base-Backbone interact. energy: -0.767
local terms energy: -115.445305
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -26.553
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: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -316.665799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.665799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.665799 (E_RNA)
where:
Base-Base interactions energy: -201.087
where: short stacking energy: -94.090
Base-Backbone interact. energy: -0.073
local terms energy: -115.505749
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -314.929547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.929547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.929547 (E_RNA)
where:
Base-Base interactions energy: -219.520
where: short stacking energy: -93.946
Base-Backbone interact. energy: 2.244
local terms energy: -97.653815
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -16.440
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: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -305.775240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.775240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.775240 (E_RNA)
where:
Base-Base interactions energy: -204.026
where: short stacking energy: -95.915
Base-Backbone interact. energy: -2.056
local terms energy: -99.693253
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -151.941464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.941464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.941464 (E_RNA)
where:
Base-Base interactions energy: -62.782
where: short stacking energy: -45.463
Base-Backbone interact. energy: -0.314
local terms energy: -88.845437
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -497.958370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.958370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.958370 (E_RNA)
where:
Base-Base interactions energy: -352.730
where: short stacking energy: -148.750
Base-Backbone interact. energy: -0.876
local terms energy: -144.351496
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -40.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -448.457412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.457412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.457412 (E_RNA)
where:
Base-Base interactions energy: -310.576
where: short stacking energy: -143.843
Base-Backbone interact. energy: -1.021
local terms energy: -136.860259
where:
bonds (distance) C4'-P energy: -28.000
bonds (distance) P-C4' energy: -28.835
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -35.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -459.695212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.695212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.695212 (E_RNA)
where:
Base-Base interactions energy: -316.165
where: short stacking energy: -150.223
Base-Backbone interact. energy: -0.307
local terms energy: -143.223385
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -41.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -434.366671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.366671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.366671 (E_RNA)
where:
Base-Base interactions energy: -298.387
where: short stacking energy: -132.254
Base-Backbone interact. energy: 0.643
local terms energy: -136.622770
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -395.580660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.580660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.580660 (E_RNA)
where:
Base-Base interactions energy: -267.414
where: short stacking energy: -119.165
Base-Backbone interact. energy: 0.499
local terms energy: -128.665306
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -27.271
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: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -320.162818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.162818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.162818 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -96.227
Base-Backbone interact. energy: -0.337
local terms energy: -119.359790
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -375.063490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.063490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.063490 (E_RNA)
where:
Base-Base interactions energy: -251.936
where: short stacking energy: -126.316
Base-Backbone interact. energy: -0.325
local terms energy: -122.803354
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -31.005
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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -310.709854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.709854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.709854 (E_RNA)
where:
Base-Base interactions energy: -207.960
where: short stacking energy: -99.104
Base-Backbone interact. energy: 2.707
local terms energy: -105.456641
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -216.646084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.646084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.646084 (E_RNA)
where:
Base-Base interactions energy: -120.162
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.153
local terms energy: -96.331299
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -14.782
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: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -141.227869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.227869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.227869 (E_RNA)
where:
Base-Base interactions energy: -59.238
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.481
local terms energy: -81.508576
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -1.098
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: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -499.648645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.648645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.648645 (E_RNA)
where:
Base-Base interactions energy: -349.410
where: short stacking energy: -153.303
Base-Backbone interact. energy: -0.187
local terms energy: -150.052441
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -443.678003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.678003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.678003 (E_RNA)
where:
Base-Base interactions energy: -309.280
where: short stacking energy: -148.830
Base-Backbone interact. energy: -0.458
local terms energy: -133.939244
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -37.189
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: 78
Temperature: 1.000000
Total energy: -474.923069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.923069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.923069 (E_RNA)
where:
Base-Base interactions energy: -324.593
where: short stacking energy: -149.924
Base-Backbone interact. energy: -1.679
local terms energy: -148.650902
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -22.982
tors. eta vs tors. theta energy: -39.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -442.631142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.631142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.631142 (E_RNA)
where:
Base-Base interactions energy: -307.586
where: short stacking energy: -131.027
Base-Backbone interact. energy: 1.756
local terms energy: -136.800287
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -36.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -392.821194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.821194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.821194 (E_RNA)
where:
Base-Base interactions energy: -270.050
where: short stacking energy: -120.690
Base-Backbone interact. energy: 0.078
local terms energy: -122.849379
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -304.753204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.753204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.753204 (E_RNA)
where:
Base-Base interactions energy: -202.358
where: short stacking energy: -89.574
Base-Backbone interact. energy: -0.468
local terms energy: -101.927414
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -28.184
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -20.411
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -338.893068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.893068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.893068 (E_RNA)
where:
Base-Base interactions energy: -223.626
where: short stacking energy: -101.963
Base-Backbone interact. energy: -1.135
local terms energy: -114.131362
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -308.904986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.904986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.904986 (E_RNA)
where:
Base-Base interactions energy: -204.322
where: short stacking energy: -94.357
Base-Backbone interact. energy: -0.383
local terms energy: -104.200331
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -25.495
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: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -217.152323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.152323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.152323 (E_RNA)
where:
Base-Base interactions energy: -123.466
where: short stacking energy: -82.820
Base-Backbone interact. energy: -0.141
local terms energy: -93.546056
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -9.592
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: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -173.146164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.146164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.146164 (E_RNA)
where:
Base-Base interactions energy: -87.713
where: short stacking energy: -53.066
Base-Backbone interact. energy: -0.771
local terms energy: -84.662461
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -5.852
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: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -496.163864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.163864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.163864 (E_RNA)
where:
Base-Base interactions energy: -368.660
where: short stacking energy: -152.706
Base-Backbone interact. energy: 0.146
local terms energy: -127.649301
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -37.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -477.994392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.994392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.994392 (E_RNA)
where:
Base-Base interactions energy: -328.601
where: short stacking energy: -152.988
Base-Backbone interact. energy: 0.009
local terms energy: -149.402976
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -23.645
tors. eta vs tors. theta energy: -43.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -442.013303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.013303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.013303 (E_RNA)
where:
Base-Base interactions energy: -311.732
where: short stacking energy: -137.806
Base-Backbone interact. energy: -1.312
local terms energy: -128.969615
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -34.407
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: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -394.857978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.857978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.857978 (E_RNA)
where:
Base-Base interactions energy: -272.718
where: short stacking energy: -116.962
Base-Backbone interact. energy: -0.483
local terms energy: -121.656562
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -26.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -390.144011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.144011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.144011 (E_RNA)
where:
Base-Base interactions energy: -279.026
where: short stacking energy: -130.799
Base-Backbone interact. energy: -0.330
local terms energy: -110.787145
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -30.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -341.718782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.718782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.718782 (E_RNA)
where:
Base-Base interactions energy: -226.969
where: short stacking energy: -97.076
Base-Backbone interact. energy: -2.034
local terms energy: -112.715931
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -307.630143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.630143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.630143 (E_RNA)
where:
Base-Base interactions energy: -192.760
where: short stacking energy: -98.332
Base-Backbone interact. energy: -0.847
local terms energy: -114.022420
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -337.285080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.285080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.285080 (E_RNA)
where:
Base-Base interactions energy: -222.057
where: short stacking energy: -102.742
Base-Backbone interact. energy: -0.280
local terms energy: -114.947917
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -19.911
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: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -176.226949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.226949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.226949 (E_RNA)
where:
Base-Base interactions energy: -95.096
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.624
local terms energy: -80.507829
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -1.968
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: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -214.041189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.041189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.041189 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -67.340
Base-Backbone interact. energy: -0.225
local terms energy: -89.642124
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -17.410
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: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -497.234034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.234034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.234034 (E_RNA)
where:
Base-Base interactions energy: -352.983
where: short stacking energy: -137.325
Base-Backbone interact. energy: -0.616
local terms energy: -143.634878
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -37.801
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: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -484.838358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.838358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.838358 (E_RNA)
where:
Base-Base interactions energy: -325.603
where: short stacking energy: -157.109
Base-Backbone interact. energy: -0.572
local terms energy: -158.663054
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -46.835
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: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -450.798267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.798267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.798267 (E_RNA)
where:
Base-Base interactions energy: -323.304
where: short stacking energy: -127.998
Base-Backbone interact. energy: -0.939
local terms energy: -126.555588
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -33.486
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: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -406.640767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.640767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.640767 (E_RNA)
where:
Base-Base interactions energy: -283.185
where: short stacking energy: -124.872
Base-Backbone interact. energy: 0.733
local terms energy: -124.188337
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -28.702
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: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -394.903901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.903901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.903901 (E_RNA)
where:
Base-Base interactions energy: -266.622
where: short stacking energy: -117.274
Base-Backbone interact. energy: -0.155
local terms energy: -128.127307
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -29.901
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: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -343.845668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.845668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.845668 (E_RNA)
where:
Base-Base interactions energy: -240.412
where: short stacking energy: -104.858
Base-Backbone interact. energy: -0.603
local terms energy: -102.831311
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -22.322
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: 80
Temperature: 1.200000
Total energy: -363.309896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.309896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.309896 (E_RNA)
where:
Base-Base interactions energy: -242.585
where: short stacking energy: -117.367
Base-Backbone interact. energy: -0.509
local terms energy: -120.216554
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -25.685
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: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -285.525558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.525558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.525558 (E_RNA)
where:
Base-Base interactions energy: -188.013
where: short stacking energy: -93.583
Base-Backbone interact. energy: -0.319
local terms energy: -97.193266
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -16.330
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: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -210.692536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.692536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.692536 (E_RNA)
where:
Base-Base interactions energy: -124.525
where: short stacking energy: -73.929
Base-Backbone interact. energy: -0.076
local terms energy: -86.091067
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -150.380524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.380524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.380524 (E_RNA)
where:
Base-Base interactions energy: -68.120
where: short stacking energy: -40.725
Base-Backbone interact. energy: -1.184
local terms energy: -81.075853
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -504.529863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.529863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.529863 (E_RNA)
where:
Base-Base interactions energy: -355.054
where: short stacking energy: -145.821
Base-Backbone interact. energy: -0.387
local terms energy: -149.089128
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -39.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -479.115020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.115020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.115020 (E_RNA)
where:
Base-Base interactions energy: -339.940
where: short stacking energy: -162.582
Base-Backbone interact. energy: -0.003
local terms energy: -139.171701
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -46.991
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: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -464.529527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.529527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.529527 (E_RNA)
where:
Base-Base interactions energy: -330.034
where: short stacking energy: -146.165
Base-Backbone interact. energy: -0.459
local terms energy: -134.036040
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -36.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -424.639831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.639831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.639831 (E_RNA)
where:
Base-Base interactions energy: -282.806
where: short stacking energy: -131.443
Base-Backbone interact. energy: 1.213
local terms energy: -143.046347
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -35.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -392.880402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.880402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.880402 (E_RNA)
where:
Base-Base interactions energy: -268.689
where: short stacking energy: -125.210
Base-Backbone interact. energy: -0.564
local terms energy: -123.626611
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -32.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -390.141541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.141541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.141541 (E_RNA)
where:
Base-Base interactions energy: -279.310
where: short stacking energy: -117.156
Base-Backbone interact. energy: -0.141
local terms energy: -110.690359
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -27.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -315.693438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.693438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.693438 (E_RNA)
where:
Base-Base interactions energy: -218.066
where: short stacking energy: -98.187
Base-Backbone interact. energy: -0.348
local terms energy: -97.279348
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -293.246147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.246147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.246147 (E_RNA)
where:
Base-Base interactions energy: -182.454
where: short stacking energy: -105.382
Base-Backbone interact. energy: -0.885
local terms energy: -109.906800
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -25.897
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -186.178318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.178318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.178318 (E_RNA)
where:
Base-Base interactions energy: -98.956
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.564
local terms energy: -86.658305
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -3.434
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: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -144.408767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.408767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.408767 (E_RNA)
where:
Base-Base interactions energy: -72.373
where: short stacking energy: -61.925
Base-Backbone interact. energy: 1.617
local terms energy: -73.653021
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -12.694
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: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -509.373986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.373986 (E_RNA)
where:
Base-Base interactions energy: -362.030
where: short stacking energy: -150.830
Base-Backbone interact. energy: -1.050
local terms energy: -146.293635
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -41.330
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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -493.467483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.467483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.467483 (E_RNA)
where:
Base-Base interactions energy: -342.114
where: short stacking energy: -165.364
Base-Backbone interact. energy: -0.547
local terms energy: -150.806634
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -44.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -463.647276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.647276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.647276 (E_RNA)
where:
Base-Base interactions energy: -317.444
where: short stacking energy: -134.379
Base-Backbone interact. energy: -1.020
local terms energy: -145.182810
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -37.685
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: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -414.166366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.166366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.166366 (E_RNA)
where:
Base-Base interactions energy: -281.268
where: short stacking energy: -142.367
Base-Backbone interact. energy: -1.202
local terms energy: -131.696725
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -38.741
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: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -404.848764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.848764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.848764 (E_RNA)
where:
Base-Base interactions energy: -277.614
where: short stacking energy: -124.390
Base-Backbone interact. energy: -0.774
local terms energy: -126.460641
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -29.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -391.380027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.380027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.380027 (E_RNA)
where:
Base-Base interactions energy: -269.048
where: short stacking energy: -124.496
Base-Backbone interact. energy: 0.500
local terms energy: -122.832287
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -28.628
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -289.701330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.701330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.701330 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -87.439
Base-Backbone interact. energy: -0.796
local terms energy: -114.592923
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -338.475748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.475748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.475748 (E_RNA)
where:
Base-Base interactions energy: -238.120
where: short stacking energy: -103.745
Base-Backbone interact. energy: -0.295
local terms energy: -100.060857
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -147.874472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.874472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.874472 (E_RNA)
where:
Base-Base interactions energy: -62.100
where: short stacking energy: -51.435
Base-Backbone interact. energy: 0.124
local terms energy: -85.898768
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -150.335227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.335227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.335227 (E_RNA)
where:
Base-Base interactions energy: -65.346
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.315
local terms energy: -84.674403
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -18.953
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: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -498.589084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.589084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.589084 (E_RNA)
where:
Base-Base interactions energy: -355.686
where: short stacking energy: -151.182
Base-Backbone interact. energy: -1.366
local terms energy: -141.536322
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -37.742
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: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -493.141505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.141505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.141505 (E_RNA)
where:
Base-Base interactions energy: -336.664
where: short stacking energy: -163.032
Base-Backbone interact. energy: -0.017
local terms energy: -156.460816
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -44.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -460.138793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.138793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.138793 (E_RNA)
where:
Base-Base interactions energy: -326.457
where: short stacking energy: -142.809
Base-Backbone interact. energy: -0.782
local terms energy: -132.899721
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -40.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -432.473445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.473445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.473445 (E_RNA)
where:
Base-Base interactions energy: -296.620
where: short stacking energy: -145.010
Base-Backbone interact. energy: -1.267
local terms energy: -134.586562
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -39.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -404.275456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.275456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.275456 (E_RNA)
where:
Base-Base interactions energy: -269.749
where: short stacking energy: -117.047
Base-Backbone interact. energy: 1.126
local terms energy: -135.652392
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -26.267
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: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -406.357382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.357382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.357382 (E_RNA)
where:
Base-Base interactions energy: -271.077
where: short stacking energy: -137.121
Base-Backbone interact. energy: 0.760
local terms energy: -136.040011
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -37.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -266.502530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.502530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.502530 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -78.895
Base-Backbone interact. energy: -1.427
local terms energy: -105.571102
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -345.732963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.732963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.732963 (E_RNA)
where:
Base-Base interactions energy: -240.435
where: short stacking energy: -117.300
Base-Backbone interact. energy: -1.293
local terms energy: -104.004994
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -207.258112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.258112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.258112 (E_RNA)
where:
Base-Base interactions energy: -139.012
where: short stacking energy: -66.229
Base-Backbone interact. energy: -2.348
local terms energy: -65.897714
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: 0.778
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -156.137494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.137494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.137494 (E_RNA)
where:
Base-Base interactions energy: -63.573
where: short stacking energy: -47.827
Base-Backbone interact. energy: 0.001
local terms energy: -92.565458
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -484.034293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.034293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.034293 (E_RNA)
where:
Base-Base interactions energy: -335.852
where: short stacking energy: -153.888
Base-Backbone interact. energy: -0.570
local terms energy: -147.612628
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -41.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -489.747500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.747500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.747500 (E_RNA)
where:
Base-Base interactions energy: -346.965
where: short stacking energy: -150.332
Base-Backbone interact. energy: -0.377
local terms energy: -142.405804
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -31.640
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -36.421
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: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -438.680442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.680442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.680442 (E_RNA)
where:
Base-Base interactions energy: -303.817
where: short stacking energy: -152.629
Base-Backbone interact. energy: -0.401
local terms energy: -134.461574
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -38.452
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: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -479.533525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.533525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.533525 (E_RNA)
where:
Base-Base interactions energy: -335.939
where: short stacking energy: -147.434
Base-Backbone interact. energy: -0.339
local terms energy: -143.255915
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -39.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -417.821029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.821029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.821029 (E_RNA)
where:
Base-Base interactions energy: -276.959
where: short stacking energy: -135.672
Base-Backbone interact. energy: -0.628
local terms energy: -140.234006
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -37.511
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: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -358.720319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.720319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.720319 (E_RNA)
where:
Base-Base interactions energy: -239.316
where: short stacking energy: -113.921
Base-Backbone interact. energy: -1.022
local terms energy: -118.382669
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -387.553016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.553016 (E_RNA)
where:
Base-Base interactions energy: -266.188
where: short stacking energy: -122.365
Base-Backbone interact. energy: -0.678
local terms energy: -120.687797
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -28.209
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -24.946
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: 84
Temperature: 1.250000
Total energy: -292.350930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.350930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.350930 (E_RNA)
where:
Base-Base interactions energy: -188.473
where: short stacking energy: -94.879
Base-Backbone interact. energy: -1.290
local terms energy: -102.587615
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -31.091
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -154.244000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.244000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.244000 (E_RNA)
where:
Base-Base interactions energy: -71.697
where: short stacking energy: -41.496
Base-Backbone interact. energy: 0.117
local terms energy: -82.664678
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -3.554
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: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -135.745279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.745279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.745279 (E_RNA)
where:
Base-Base interactions energy: -62.024
where: short stacking energy: -48.927
Base-Backbone interact. energy: -0.228
local terms energy: -73.492820
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -498.058812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.058812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.058812 (E_RNA)
where:
Base-Base interactions energy: -339.717
where: short stacking energy: -162.956
Base-Backbone interact. energy: -0.005
local terms energy: -158.336584
where:
bonds (distance) C4'-P energy: -27.890
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -43.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -496.225177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.225177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.225177 (E_RNA)
where:
Base-Base interactions energy: -346.545
where: short stacking energy: -143.900
Base-Backbone interact. energy: -0.230
local terms energy: -149.450523
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -40.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -438.504499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.504499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.504499 (E_RNA)
where:
Base-Base interactions energy: -299.188
where: short stacking energy: -139.091
Base-Backbone interact. energy: -0.354
local terms energy: -138.962392
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -443.791813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.791813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.791813 (E_RNA)
where:
Base-Base interactions energy: -314.497
where: short stacking energy: -136.595
Base-Backbone interact. energy: -0.911
local terms energy: -128.384475
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -27.855
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -36.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -422.739278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.739278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.739278 (E_RNA)
where:
Base-Base interactions energy: -297.267
where: short stacking energy: -128.884
Base-Backbone interact. energy: -0.692
local terms energy: -124.780370
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -377.490228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.490228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.490228 (E_RNA)
where:
Base-Base interactions energy: -260.827
where: short stacking energy: -120.468
Base-Backbone interact. energy: -1.843
local terms energy: -114.820912
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -27.872
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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -347.617083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.617083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.617083 (E_RNA)
where:
Base-Base interactions energy: -243.990
where: short stacking energy: -109.205
Base-Backbone interact. energy: -0.238
local terms energy: -103.388663
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -22.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -275.721824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.721824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.721824 (E_RNA)
where:
Base-Base interactions energy: -164.642
where: short stacking energy: -84.334
Base-Backbone interact. energy: -0.277
local terms energy: -110.802655
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -18.519
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: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -194.611809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.611809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.611809 (E_RNA)
where:
Base-Base interactions energy: -100.025
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.558
local terms energy: -94.028604
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -27.097
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -133.354700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.354700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.354700 (E_RNA)
where:
Base-Base interactions energy: -60.214
where: short stacking energy: -55.151
Base-Backbone interact. energy: -0.539
local terms energy: -72.601333
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: 4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -495.337540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.337540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.337540 (E_RNA)
where:
Base-Base interactions energy: -339.392
where: short stacking energy: -160.643
Base-Backbone interact. energy: -0.012
local terms energy: -155.933340
where:
bonds (distance) C4'-P energy: -27.341
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -47.597
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -488.412999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.412999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.412999 (E_RNA)
where:
Base-Base interactions energy: -352.694
where: short stacking energy: -153.548
Base-Backbone interact. energy: 0.465
local terms energy: -136.184195
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -38.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -445.712841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.712841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.712841 (E_RNA)
where:
Base-Base interactions energy: -320.752
where: short stacking energy: -139.151
Base-Backbone interact. energy: -0.115
local terms energy: -124.846185
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -34.339
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: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -432.134892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.134892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.134892 (E_RNA)
where:
Base-Base interactions energy: -304.971
where: short stacking energy: -137.814
Base-Backbone interact. energy: -0.132
local terms energy: -127.031796
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -37.257
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: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -414.825341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.825341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.825341 (E_RNA)
where:
Base-Base interactions energy: -286.739
where: short stacking energy: -131.561
Base-Backbone interact. energy: -2.246
local terms energy: -125.840568
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -30.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -414.133725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.133725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.133725 (E_RNA)
where:
Base-Base interactions energy: -285.100
where: short stacking energy: -129.136
Base-Backbone interact. energy: -0.350
local terms energy: -128.683962
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -36.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -350.034253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.034253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.034253 (E_RNA)
where:
Base-Base interactions energy: -243.073
where: short stacking energy: -113.742
Base-Backbone interact. energy: -0.241
local terms energy: -106.720496
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -24.810
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: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -305.066911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.066911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.066911 (E_RNA)
where:
Base-Base interactions energy: -192.134
where: short stacking energy: -98.656
Base-Backbone interact. energy: -0.256
local terms energy: -112.676309
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -25.938
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: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -212.267818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.267818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.267818 (E_RNA)
where:
Base-Base interactions energy: -124.417
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.336
local terms energy: -87.514793
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -155.749020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.749020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.749020 (E_RNA)
where:
Base-Base interactions energy: -81.663
where: short stacking energy: -39.452
Base-Backbone interact. energy: 3.449
local terms energy: -77.535091
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -491.137361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.137361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.137361 (E_RNA)
where:
Base-Base interactions energy: -339.780
where: short stacking energy: -161.211
Base-Backbone interact. energy: 0.356
local terms energy: -151.713395
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -45.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -483.505883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.505883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.505883 (E_RNA)
where:
Base-Base interactions energy: -348.704
where: short stacking energy: -138.244
Base-Backbone interact. energy: 1.323
local terms energy: -136.125041
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -453.271031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.271031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.271031 (E_RNA)
where:
Base-Base interactions energy: -313.285
where: short stacking energy: -131.577
Base-Backbone interact. energy: -1.688
local terms energy: -138.297567
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -31.904
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: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -420.043249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.043249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.043249 (E_RNA)
where:
Base-Base interactions energy: -283.850
where: short stacking energy: -131.065
Base-Backbone interact. energy: -0.036
local terms energy: -136.157034
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -31.355
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -31.671
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: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -427.593075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.593075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.593075 (E_RNA)
where:
Base-Base interactions energy: -285.206
where: short stacking energy: -133.684
Base-Backbone interact. energy: 0.277
local terms energy: -142.664291
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -39.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -423.259987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.259987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.259987 (E_RNA)
where:
Base-Base interactions energy: -290.053
where: short stacking energy: -128.807
Base-Backbone interact. energy: -0.085
local terms energy: -133.121690
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -37.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -335.434843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.434843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.434843 (E_RNA)
where:
Base-Base interactions energy: -233.119
where: short stacking energy: -99.514
Base-Backbone interact. energy: -0.906
local terms energy: -101.410184
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -227.805865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.805865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.805865 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -68.930
Base-Backbone interact. energy: -1.049
local terms energy: -95.551234
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -13.243
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: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -281.934862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.934862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.934862 (E_RNA)
where:
Base-Base interactions energy: -181.468
where: short stacking energy: -88.710
Base-Backbone interact. energy: -0.881
local terms energy: -99.586169
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -153.324398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.324398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.324398 (E_RNA)
where:
Base-Base interactions energy: -59.838
where: short stacking energy: -55.219
Base-Backbone interact. energy: -0.378
local terms energy: -93.108350
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -13.990
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: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -495.589974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.589974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.589974 (E_RNA)
where:
Base-Base interactions energy: -340.648
where: short stacking energy: -138.582
Base-Backbone interact. energy: 0.175
local terms energy: -155.116428
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -39.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -479.996967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.996967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.996967 (E_RNA)
where:
Base-Base interactions energy: -330.150
where: short stacking energy: -162.838
Base-Backbone interact. energy: -0.061
local terms energy: -149.786038
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -45.268
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -445.481344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.481344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.481344 (E_RNA)
where:
Base-Base interactions energy: -317.093
where: short stacking energy: -123.098
Base-Backbone interact. energy: 2.919
local terms energy: -131.307542
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -422.776553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.776553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.776553 (E_RNA)
where:
Base-Base interactions energy: -297.332
where: short stacking energy: -136.366
Base-Backbone interact. energy: -0.293
local terms energy: -125.151492
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -36.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -416.143242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.143242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.143242 (E_RNA)
where:
Base-Base interactions energy: -287.684
where: short stacking energy: -143.039
Base-Backbone interact. energy: 0.524
local terms energy: -128.983681
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -39.293
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: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -385.428425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.428425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.428425 (E_RNA)
where:
Base-Base interactions energy: -268.966
where: short stacking energy: -126.783
Base-Backbone interact. energy: -0.164
local terms energy: -116.297716
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -31.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -351.730453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.730453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.730453 (E_RNA)
where:
Base-Base interactions energy: -236.320
where: short stacking energy: -101.933
Base-Backbone interact. energy: -0.469
local terms energy: -114.942009
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -199.018211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.018211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.018211 (E_RNA)
where:
Base-Base interactions energy: -98.372
where: short stacking energy: -67.536
Base-Backbone interact. energy: -0.471
local terms energy: -100.174645
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -246.423821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.423821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.423821 (E_RNA)
where:
Base-Base interactions energy: -153.397
where: short stacking energy: -67.843
Base-Backbone interact. energy: -0.541
local terms energy: -92.485532
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -155.903896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.903896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.903896 (E_RNA)
where:
Base-Base interactions energy: -77.047
where: short stacking energy: -49.810
Base-Backbone interact. energy: 0.379
local terms energy: -79.236303
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -496.998934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.998934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.998934 (E_RNA)
where:
Base-Base interactions energy: -354.084
where: short stacking energy: -151.355
Base-Backbone interact. energy: 0.203
local terms energy: -143.118316
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -29.300
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -39.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -460.099961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.099961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.099961 (E_RNA)
where:
Base-Base interactions energy: -319.615
where: short stacking energy: -144.310
Base-Backbone interact. energy: -0.934
local terms energy: -139.551809
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -37.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -467.812189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.812189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.812189 (E_RNA)
where:
Base-Base interactions energy: -318.753
where: short stacking energy: -151.101
Base-Backbone interact. energy: -0.338
local terms energy: -148.721168
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -46.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -437.295083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.295083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.295083 (E_RNA)
where:
Base-Base interactions energy: -308.363
where: short stacking energy: -136.183
Base-Backbone interact. energy: 0.355
local terms energy: -129.287576
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -38.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -414.201833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.201833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.201833 (E_RNA)
where:
Base-Base interactions energy: -283.710
where: short stacking energy: -123.628
Base-Backbone interact. energy: -1.268
local terms energy: -129.224276
where:
bonds (distance) C4'-P energy: -29.367
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -31.997
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: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -358.830201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.830201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.830201 (E_RNA)
where:
Base-Base interactions energy: -239.389
where: short stacking energy: -124.685
Base-Backbone interact. energy: -0.127
local terms energy: -119.314471
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -26.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -375.698627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.698627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.698627 (E_RNA)
where:
Base-Base interactions energy: -262.129
where: short stacking energy: -117.952
Base-Backbone interact. energy: 0.419
local terms energy: -113.988328
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -275.863646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.863646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.863646 (E_RNA)
where:
Base-Base interactions energy: -175.935
where: short stacking energy: -76.209
Base-Backbone interact. energy: 0.557
local terms energy: -100.485021
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -267.305016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.305016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.305016 (E_RNA)
where:
Base-Base interactions energy: -174.263
where: short stacking energy: -85.380
Base-Backbone interact. energy: -0.446
local terms energy: -92.595829
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -11.043
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: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -137.637626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.637626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.637626 (E_RNA)
where:
Base-Base interactions energy: -59.074
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.366
local terms energy: -78.197310
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -497.219939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.219939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.219939 (E_RNA)
where:
Base-Base interactions energy: -352.239
where: short stacking energy: -158.438
Base-Backbone interact. energy: -0.288
local terms energy: -144.691986
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -465.994279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.994279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.994279 (E_RNA)
where:
Base-Base interactions energy: -333.919
where: short stacking energy: -150.180
Base-Backbone interact. energy: -0.712
local terms energy: -131.362451
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -36.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -449.881196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.881196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.881196 (E_RNA)
where:
Base-Base interactions energy: -308.154
where: short stacking energy: -142.291
Base-Backbone interact. energy: -1.068
local terms energy: -140.658503
where:
bonds (distance) C4'-P energy: -27.325
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -38.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -463.834822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.834822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.834822 (E_RNA)
where:
Base-Base interactions energy: -330.040
where: short stacking energy: -156.006
Base-Backbone interact. energy: -0.559
local terms energy: -133.235920
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -41.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -411.409869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.409869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.409869 (E_RNA)
where:
Base-Base interactions energy: -274.749
where: short stacking energy: -126.875
Base-Backbone interact. energy: -2.292
local terms energy: -134.369247
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -32.328
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: 90
Temperature: 1.150000
Total energy: -376.388779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.388779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.388779 (E_RNA)
where:
Base-Base interactions energy: -261.813
where: short stacking energy: -124.259
Base-Backbone interact. energy: -0.179
local terms energy: -114.396589
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -28.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -376.387249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.387249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.387249 (E_RNA)
where:
Base-Base interactions energy: -255.255
where: short stacking energy: -116.776
Base-Backbone interact. energy: -0.629
local terms energy: -120.503781
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -29.615
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: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -284.749906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.749906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.749906 (E_RNA)
where:
Base-Base interactions energy: -181.416
where: short stacking energy: -82.427
Base-Backbone interact. energy: 1.156
local terms energy: -104.489858
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -259.682065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.682065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.682065 (E_RNA)
where:
Base-Base interactions energy: -169.682
where: short stacking energy: -84.989
Base-Backbone interact. energy: 0.415
local terms energy: -90.414995
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -170.835799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.835799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.835799 (E_RNA)
where:
Base-Base interactions energy: -67.820
where: short stacking energy: -67.660
Base-Backbone interact. energy: -0.037
local terms energy: -102.978878
where:
bonds (distance) C4'-P energy: -24.427
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -510.296677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.296677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.296677 (E_RNA)
where:
Base-Base interactions energy: -356.902
where: short stacking energy: -154.659
Base-Backbone interact. energy: -0.759
local terms energy: -152.636141
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -41.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -469.535516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.535516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.535516 (E_RNA)
where:
Base-Base interactions energy: -330.487
where: short stacking energy: -145.080
Base-Backbone interact. energy: 2.857
local terms energy: -141.906255
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -34.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -459.921735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.921735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.921735 (E_RNA)
where:
Base-Base interactions energy: -320.894
where: short stacking energy: -141.641
Base-Backbone interact. energy: -0.186
local terms energy: -138.841263
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -40.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -475.035121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.035121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.035121 (E_RNA)
where:
Base-Base interactions energy: -328.893
where: short stacking energy: -149.458
Base-Backbone interact. energy: -1.434
local terms energy: -144.707614
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -44.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -413.642455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.642455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.642455 (E_RNA)
where:
Base-Base interactions energy: -291.400
where: short stacking energy: -129.440
Base-Backbone interact. energy: -0.250
local terms energy: -121.992647
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -26.531
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: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -400.889188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.889188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.889188 (E_RNA)
where:
Base-Base interactions energy: -277.093
where: short stacking energy: -134.467
Base-Backbone interact. energy: -0.365
local terms energy: -123.431153
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -31.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -361.259348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.259348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.259348 (E_RNA)
where:
Base-Base interactions energy: -238.014
where: short stacking energy: -102.208
Base-Backbone interact. energy: -0.449
local terms energy: -122.796820
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -258.316757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.316757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.316757 (E_RNA)
where:
Base-Base interactions energy: -151.454
where: short stacking energy: -84.297
Base-Backbone interact. energy: 1.661
local terms energy: -108.524309
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -19.230
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: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -272.288929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.288929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.288929 (E_RNA)
where:
Base-Base interactions energy: -171.477
where: short stacking energy: -80.560
Base-Backbone interact. energy: 0.303
local terms energy: -101.115408
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -157.825030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.825030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.825030 (E_RNA)
where:
Base-Base interactions energy: -79.160
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.322
local terms energy: -78.343243
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -479.125790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.125790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.125790 (E_RNA)
where:
Base-Base interactions energy: -326.176
where: short stacking energy: -149.567
Base-Backbone interact. energy: -1.218
local terms energy: -151.731936
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -482.573831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.573831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.573831 (E_RNA)
where:
Base-Base interactions energy: -347.300
where: short stacking energy: -144.738
Base-Backbone interact. energy: -0.982
local terms energy: -134.291717
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -468.218016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.218016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.218016 (E_RNA)
where:
Base-Base interactions energy: -333.112
where: short stacking energy: -163.937
Base-Backbone interact. energy: -0.020
local terms energy: -135.086456
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -44.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -442.289987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.289987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.289987 (E_RNA)
where:
Base-Base interactions energy: -307.183
where: short stacking energy: -143.628
Base-Backbone interact. energy: -1.253
local terms energy: -133.853455
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -40.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -396.094618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.094618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.094618 (E_RNA)
where:
Base-Base interactions energy: -278.690
where: short stacking energy: -119.991
Base-Backbone interact. energy: -0.166
local terms energy: -117.237635
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -28.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -398.212506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.212506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.212506 (E_RNA)
where:
Base-Base interactions energy: -265.650
where: short stacking energy: -127.687
Base-Backbone interact. energy: -0.321
local terms energy: -132.240776
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -27.339
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -351.007772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.007772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.007772 (E_RNA)
where:
Base-Base interactions energy: -241.319
where: short stacking energy: -110.417
Base-Backbone interact. energy: -0.144
local terms energy: -109.545533
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -287.245625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.245625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.245625 (E_RNA)
where:
Base-Base interactions energy: -173.309
where: short stacking energy: -99.509
Base-Backbone interact. energy: -0.337
local terms energy: -113.599467
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -271.391048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.391048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.391048 (E_RNA)
where:
Base-Base interactions energy: -166.613
where: short stacking energy: -104.177
Base-Backbone interact. energy: -0.236
local terms energy: -104.541450
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -141.985555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.985555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.985555 (E_RNA)
where:
Base-Base interactions energy: -59.873
where: short stacking energy: -55.894
Base-Backbone interact. energy: -0.250
local terms energy: -81.862660
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -7.351
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: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -477.628729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.628729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.628729 (E_RNA)
where:
Base-Base interactions energy: -344.062
where: short stacking energy: -150.063
Base-Backbone interact. energy: -0.118
local terms energy: -133.448703
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -40.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -493.041873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.041873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.041873 (E_RNA)
where:
Base-Base interactions energy: -360.999
where: short stacking energy: -151.489
Base-Backbone interact. energy: -2.031
local terms energy: -130.011437
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -36.925
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: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -481.597719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.597719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.597719 (E_RNA)
where:
Base-Base interactions energy: -327.525
where: short stacking energy: -161.410
Base-Backbone interact. energy: -0.096
local terms energy: -153.977106
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -46.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -435.044930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.044930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.044930 (E_RNA)
where:
Base-Base interactions energy: -293.971
where: short stacking energy: -139.137
Base-Backbone interact. energy: -0.961
local terms energy: -140.112490
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -43.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -406.818452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.818452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.818452 (E_RNA)
where:
Base-Base interactions energy: -291.991
where: short stacking energy: -125.528
Base-Backbone interact. energy: -0.447
local terms energy: -114.380363
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -24.947
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: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -364.493774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.493774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.493774 (E_RNA)
where:
Base-Base interactions energy: -242.378
where: short stacking energy: -123.933
Base-Backbone interact. energy: -0.062
local terms energy: -122.054211
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -34.196
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -379.913655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.913655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.913655 (E_RNA)
where:
Base-Base interactions energy: -262.973
where: short stacking energy: -127.262
Base-Backbone interact. energy: -1.536
local terms energy: -115.403879
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -30.752
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: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -265.796777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.796777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.796777 (E_RNA)
where:
Base-Base interactions energy: -151.369
where: short stacking energy: -86.842
Base-Backbone interact. energy: -0.043
local terms energy: -114.385489
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -253.152736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.152736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.152736 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -78.723
Base-Backbone interact. energy: -0.223
local terms energy: -104.375703
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -15.133
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -140.068571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.068571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.068571 (E_RNA)
where:
Base-Base interactions energy: -56.545
where: short stacking energy: -53.664
Base-Backbone interact. energy: 1.268
local terms energy: -84.790872
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -505.057212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.057212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.057212 (E_RNA)
where:
Base-Base interactions energy: -360.911
where: short stacking energy: -149.032
Base-Backbone interact. energy: -2.072
local terms energy: -142.074183
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -36.719
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: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -465.696330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.696330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.696330 (E_RNA)
where:
Base-Base interactions energy: -324.700
where: short stacking energy: -150.659
Base-Backbone interact. energy: 1.611
local terms energy: -142.607647
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -38.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -474.555550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.555550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.555550 (E_RNA)
where:
Base-Base interactions energy: -332.375
where: short stacking energy: -156.322
Base-Backbone interact. energy: -0.297
local terms energy: -141.882817
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -42.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -435.701281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.701281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.701281 (E_RNA)
where:
Base-Base interactions energy: -296.717
where: short stacking energy: -143.811
Base-Backbone interact. energy: -0.906
local terms energy: -138.078485
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -36.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -429.487008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.487008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.487008 (E_RNA)
where:
Base-Base interactions energy: -293.973
where: short stacking energy: -129.589
Base-Backbone interact. energy: 0.667
local terms energy: -136.181152
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -26.452
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -35.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -364.564968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.564968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.564968 (E_RNA)
where:
Base-Base interactions energy: -255.581
where: short stacking energy: -97.136
Base-Backbone interact. energy: -0.313
local terms energy: -108.670759
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -24.107
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: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -345.499363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.499363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.499363 (E_RNA)
where:
Base-Base interactions energy: -228.105
where: short stacking energy: -102.667
Base-Backbone interact. energy: -0.063
local terms energy: -117.331265
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -26.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -280.564792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.564792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.564792 (E_RNA)
where:
Base-Base interactions energy: -166.444
where: short stacking energy: -95.102
Base-Backbone interact. energy: -0.405
local terms energy: -113.716297
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -28.948
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -155.163353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.163353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.163353 (E_RNA)
where:
Base-Base interactions energy: -58.750
where: short stacking energy: -55.270
Base-Backbone interact. energy: 2.134
local terms energy: -98.548078
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -13.394
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: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -243.271113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.271113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.271113 (E_RNA)
where:
Base-Base interactions energy: -152.651
where: short stacking energy: -79.410
Base-Backbone interact. energy: 4.914
local terms energy: -95.533843
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -16.852
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: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -505.833788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.833788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.833788 (E_RNA)
where:
Base-Base interactions energy: -357.702
where: short stacking energy: -157.659
Base-Backbone interact. energy: 1.581
local terms energy: -149.712934
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -29.150
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -41.399
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -471.108564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.108564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.108564 (E_RNA)
where:
Base-Base interactions energy: -328.839
where: short stacking energy: -157.331
Base-Backbone interact. energy: -1.156
local terms energy: -141.113578
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -42.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -452.066366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.066366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.066366 (E_RNA)
where:
Base-Base interactions energy: -317.925
where: short stacking energy: -134.891
Base-Backbone interact. energy: -1.670
local terms energy: -132.471273
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -35.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -435.815154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.815154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.815154 (E_RNA)
where:
Base-Base interactions energy: -304.250
where: short stacking energy: -128.218
Base-Backbone interact. energy: -1.105
local terms energy: -130.461077
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -26.614
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -34.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -406.198076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.198076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.198076 (E_RNA)
where:
Base-Base interactions energy: -290.897
where: short stacking energy: -131.468
Base-Backbone interact. energy: 1.184
local terms energy: -116.485213
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -31.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -365.605456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.605456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.605456 (E_RNA)
where:
Base-Base interactions energy: -250.964
where: short stacking energy: -119.958
Base-Backbone interact. energy: -1.027
local terms energy: -113.613980
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -364.835527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.835527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.835527 (E_RNA)
where:
Base-Base interactions energy: -248.924
where: short stacking energy: -114.115
Base-Backbone interact. energy: -0.808
local terms energy: -115.102847
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -25.300
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: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -284.599536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.599536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.599536 (E_RNA)
where:
Base-Base interactions energy: -182.758
where: short stacking energy: -97.674
Base-Backbone interact. energy: -0.523
local terms energy: -101.318884
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -154.200999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.200999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.200999 (E_RNA)
where:
Base-Base interactions energy: -84.943
where: short stacking energy: -64.981
Base-Backbone interact. energy: -0.346
local terms energy: -68.911052
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: 0.632
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -255.966451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.966451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.966451 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -80.213
Base-Backbone interact. energy: -0.673
local terms energy: -106.253848
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -496.536772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.536772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.536772 (E_RNA)
where:
Base-Base interactions energy: -356.267
where: short stacking energy: -151.099
Base-Backbone interact. energy: -0.784
local terms energy: -139.485550
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -39.041
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: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -478.562567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.562567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.562567 (E_RNA)
where:
Base-Base interactions energy: -327.573
where: short stacking energy: -153.776
Base-Backbone interact. energy: -0.308
local terms energy: -150.681016
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -42.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -458.066182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.066182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.066182 (E_RNA)
where:
Base-Base interactions energy: -320.526
where: short stacking energy: -137.046
Base-Backbone interact. energy: -0.219
local terms energy: -137.321235
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -36.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -424.081977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.081977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.081977 (E_RNA)
where:
Base-Base interactions energy: -286.656
where: short stacking energy: -127.019
Base-Backbone interact. energy: -0.367
local terms energy: -137.059425
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -18.998
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -411.036025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.036025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.036025 (E_RNA)
where:
Base-Base interactions energy: -290.150
where: short stacking energy: -130.876
Base-Backbone interact. energy: -0.147
local terms energy: -120.738158
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -27.245
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -30.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -380.125577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.125577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.125577 (E_RNA)
where:
Base-Base interactions energy: -257.933
where: short stacking energy: -125.358
Base-Backbone interact. energy: -0.121
local terms energy: -122.071672
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -34.767
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: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -368.851893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.851893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.851893 (E_RNA)
where:
Base-Base interactions energy: -256.841
where: short stacking energy: -122.742
Base-Backbone interact. energy: 0.952
local terms energy: -112.963446
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -32.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -289.499853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.499853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.499853 (E_RNA)
where:
Base-Base interactions energy: -178.906
where: short stacking energy: -107.197
Base-Backbone interact. energy: -0.529
local terms energy: -110.064915
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -26.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -229.847286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847286 (E_RNA)
where:
Base-Base interactions energy: -161.087
where: short stacking energy: -70.710
Base-Backbone interact. energy: 1.924
local terms energy: -70.684248
where:
bonds (distance) C4'-P energy: -3.353
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -140.985510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.985510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.985510 (E_RNA)
where:
Base-Base interactions energy: -59.852
where: short stacking energy: -55.176
Base-Backbone interact. energy: 4.078
local terms energy: -85.211672
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -500.586757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.586757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.586757 (E_RNA)
where:
Base-Base interactions energy: -362.228
where: short stacking energy: -149.268
Base-Backbone interact. energy: 0.043
local terms energy: -138.401701
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -40.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -466.029910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.029910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.029910 (E_RNA)
where:
Base-Base interactions energy: -331.870
where: short stacking energy: -138.963
Base-Backbone interact. energy: 0.058
local terms energy: -134.218431
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -37.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -473.569436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.569436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.569436 (E_RNA)
where:
Base-Base interactions energy: -332.085
where: short stacking energy: -155.434
Base-Backbone interact. energy: -0.788
local terms energy: -140.696862
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -42.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -424.462653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.462653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.462653 (E_RNA)
where:
Base-Base interactions energy: -290.464
where: short stacking energy: -140.792
Base-Backbone interact. energy: -1.597
local terms energy: -132.401736
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -21.901
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -419.631780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.631780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.631780 (E_RNA)
where:
Base-Base interactions energy: -289.515
where: short stacking energy: -122.330
Base-Backbone interact. energy: -0.967
local terms energy: -129.149981
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -29.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -362.372345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.372345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.372345 (E_RNA)
where:
Base-Base interactions energy: -245.621
where: short stacking energy: -110.888
Base-Backbone interact. energy: -1.213
local terms energy: -115.538133
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -376.943868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.943868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.943868 (E_RNA)
where:
Base-Base interactions energy: -261.396
where: short stacking energy: -126.827
Base-Backbone interact. energy: -0.719
local terms energy: -114.829070
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -32.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -265.320684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.320684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.320684 (E_RNA)
where:
Base-Base interactions energy: -165.670
where: short stacking energy: -86.459
Base-Backbone interact. energy: 0.122
local terms energy: -99.773026
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -206.157220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.157220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.157220 (E_RNA)
where:
Base-Base interactions energy: -116.567
where: short stacking energy: -69.500
Base-Backbone interact. energy: -0.956
local terms energy: -88.634737
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -152.671478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.671478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.671478 (E_RNA)
where:
Base-Base interactions energy: -59.005
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.285
local terms energy: -93.381088
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -494.614625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.614625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.614625 (E_RNA)
where:
Base-Base interactions energy: -348.698
where: short stacking energy: -147.774
Base-Backbone interact. energy: -0.306
local terms energy: -145.611203
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -36.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -469.426873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.426873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.426873 (E_RNA)
where:
Base-Base interactions energy: -335.345
where: short stacking energy: -148.111
Base-Backbone interact. energy: -0.552
local terms energy: -133.530435
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -32.807
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -36.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -467.582276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.582276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.582276 (E_RNA)
where:
Base-Base interactions energy: -320.604
where: short stacking energy: -149.108
Base-Backbone interact. energy: -0.236
local terms energy: -146.741520
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -42.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -419.325845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.325845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.325845 (E_RNA)
where:
Base-Base interactions energy: -286.030
where: short stacking energy: -136.032
Base-Backbone interact. energy: -1.345
local terms energy: -131.950675
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -34.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -427.579712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.579712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.579712 (E_RNA)
where:
Base-Base interactions energy: -293.500
where: short stacking energy: -131.882
Base-Backbone interact. energy: 0.429
local terms energy: -134.508618
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -35.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -385.437245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.437245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.437245 (E_RNA)
where:
Base-Base interactions energy: -273.498
where: short stacking energy: -122.889
Base-Backbone interact. energy: -2.068
local terms energy: -109.871343
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -32.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -355.776419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.776419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.776419 (E_RNA)
where:
Base-Base interactions energy: -239.421
where: short stacking energy: -112.346
Base-Backbone interact. energy: -0.092
local terms energy: -116.262706
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -28.361
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: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -255.925476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.925476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.925476 (E_RNA)
where:
Base-Base interactions energy: -170.309
where: short stacking energy: -88.144
Base-Backbone interact. energy: -0.458
local terms energy: -85.158508
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -251.302600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.302600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.302600 (E_RNA)
where:
Base-Base interactions energy: -147.030
where: short stacking energy: -65.189
Base-Backbone interact. energy: -1.310
local terms energy: -102.962056
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -145.599993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.599993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.599993 (E_RNA)
where:
Base-Base interactions energy: -57.524
where: short stacking energy: -53.405
Base-Backbone interact. energy: -0.779
local terms energy: -87.296694
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -492.041827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.041827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.041827 (E_RNA)
where:
Base-Base interactions energy: -348.588
where: short stacking energy: -133.671
Base-Backbone interact. energy: -2.158
local terms energy: -141.296632
where:
bonds (distance) C4'-P energy: -29.405
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -33.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -465.384368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.384368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.384368 (E_RNA)
where:
Base-Base interactions energy: -325.771
where: short stacking energy: -152.897
Base-Backbone interact. energy: -0.178
local terms energy: -139.434772
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -39.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -464.491272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.491272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.491272 (E_RNA)
where:
Base-Base interactions energy: -324.140
where: short stacking energy: -156.840
Base-Backbone interact. energy: -0.725
local terms energy: -139.626331
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -41.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -434.988428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.988428 (E_RNA)
where:
Base-Base interactions energy: -310.059
where: short stacking energy: -137.160
Base-Backbone interact. energy: -0.762
local terms energy: -124.167357
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -32.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -425.747641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.747641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.747641 (E_RNA)
where:
Base-Base interactions energy: -288.857
where: short stacking energy: -138.575
Base-Backbone interact. energy: -1.350
local terms energy: -135.541006
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -35.531
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: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -368.169787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.169787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.169787 (E_RNA)
where:
Base-Base interactions energy: -250.716
where: short stacking energy: -108.011
Base-Backbone interact. energy: -2.267
local terms energy: -115.185968
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -354.294851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.294851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.294851 (E_RNA)
where:
Base-Base interactions energy: -239.018
where: short stacking energy: -122.302
Base-Backbone interact. energy: 0.038
local terms energy: -115.315153
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -25.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -284.354084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.354084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.354084 (E_RNA)
where:
Base-Base interactions energy: -190.417
where: short stacking energy: -85.449
Base-Backbone interact. energy: -1.034
local terms energy: -92.903224
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -13.407
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: 99
Temperature: 1.300000
Total energy: -241.330475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.330475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.330475 (E_RNA)
where:
Base-Base interactions energy: -144.010
where: short stacking energy: -85.310
Base-Backbone interact. energy: -0.363
local terms energy: -96.957140
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -25.608
flat angles C4'-P-C4' energy: -27.800
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -143.947495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.947495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.947495 (E_RNA)
where:
Base-Base interactions energy: -70.881
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.722
local terms energy: -72.344469
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -495.484606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.484606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.484606 (E_RNA)
where:
Base-Base interactions energy: -354.518
where: short stacking energy: -149.896
Base-Backbone interact. energy: -0.829
local terms energy: -140.137731
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -37.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -468.896219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.896219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.896219 (E_RNA)
where:
Base-Base interactions energy: -327.215
where: short stacking energy: -140.577
Base-Backbone interact. energy: 1.462
local terms energy: -143.142304
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -41.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -440.763730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.763730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.763730 (E_RNA)
where:
Base-Base interactions energy: -302.344
where: short stacking energy: -146.020
Base-Backbone interact. energy: -0.982
local terms energy: -137.437358
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -456.501109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.501109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.501109 (E_RNA)
where:
Base-Base interactions energy: -318.480
where: short stacking energy: -143.364
Base-Backbone interact. energy: -0.987
local terms energy: -137.034005
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -41.963
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: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -414.707398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.707398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.707398 (E_RNA)
where:
Base-Base interactions energy: -281.282
where: short stacking energy: -138.444
Base-Backbone interact. energy: -0.083
local terms energy: -133.342430
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -27.810
flat angles C4'-P-C4' energy: -30.530
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -381.808805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.808805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.808805 (E_RNA)
where:
Base-Base interactions energy: -255.335
where: short stacking energy: -120.560
Base-Backbone interact. energy: -0.102
local terms energy: -126.372234
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -351.489746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.489746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.489746 (E_RNA)
where:
Base-Base interactions energy: -239.352
where: short stacking energy: -104.351
Base-Backbone interact. energy: -0.979
local terms energy: -111.158671
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -266.622926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.622926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.622926 (E_RNA)
where:
Base-Base interactions energy: -166.314
where: short stacking energy: -68.735
Base-Backbone interact. energy: -0.955
local terms energy: -99.353575
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -12.263
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: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -247.415952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.415952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.415952 (E_RNA)
where:
Base-Base interactions energy: -168.722
where: short stacking energy: -88.858
Base-Backbone interact. energy: 0.813
local terms energy: -79.506512
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -140.320009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.320009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.320009 (E_RNA)
where:
Base-Base interactions energy: -64.339
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.239
local terms energy: -75.742181
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -14.635
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: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -498.159395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.159395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.159395 (E_RNA)
where:
Base-Base interactions energy: -343.713
where: short stacking energy: -146.277
Base-Backbone interact. energy: -0.518
local terms energy: -153.927782
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -31.621
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -40.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -479.623456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.623456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.623456 (E_RNA)
where:
Base-Base interactions energy: -329.693
where: short stacking energy: -152.911
Base-Backbone interact. energy: -1.194
local terms energy: -148.736966
where:
bonds (distance) C4'-P energy: -29.922
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -445.712513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.712513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.712513 (E_RNA)
where:
Base-Base interactions energy: -309.061
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.685
local terms energy: -135.966637
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -37.572
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: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -467.045605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.045605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.045605 (E_RNA)
where:
Base-Base interactions energy: -324.214
where: short stacking energy: -152.936
Base-Backbone interact. energy: -0.454
local terms energy: -142.377589
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -419.270397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.270397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.270397 (E_RNA)
where:
Base-Base interactions energy: -292.403
where: short stacking energy: -124.969
Base-Backbone interact. energy: -0.850
local terms energy: -126.017079
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -28.669
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: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -363.632833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.632833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.632833 (E_RNA)
where:
Base-Base interactions energy: -242.352
where: short stacking energy: -97.938
Base-Backbone interact. energy: -0.668
local terms energy: -120.612520
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -22.655
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -374.827997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.827997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.827997 (E_RNA)
where:
Base-Base interactions energy: -254.915
where: short stacking energy: -114.169
Base-Backbone interact. energy: -0.551
local terms energy: -119.362674
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -28.058
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -293.650265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.650265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.650265 (E_RNA)
where:
Base-Base interactions energy: -193.802
where: short stacking energy: -90.768
Base-Backbone interact. energy: -1.072
local terms energy: -98.775475
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -266.200699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.200699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.200699 (E_RNA)
where:
Base-Base interactions energy: -173.422
where: short stacking energy: -87.123
Base-Backbone interact. energy: 1.019
local terms energy: -93.797287
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -10.163
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: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -181.845778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.845778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.845778 (E_RNA)
where:
Base-Base interactions energy: -93.305
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.370
local terms energy: -88.170079
where:
bonds (distance) C4'-P energy: -25.479
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -12.238
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -483.453254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.453254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.453254 (E_RNA)
where:
Base-Base interactions energy: -344.698
where: short stacking energy: -153.681
Base-Backbone interact. energy: -1.487
local terms energy: -137.268344
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -37.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -493.865005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.865005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.865005 (E_RNA)
where:
Base-Base interactions energy: -351.858
where: short stacking energy: -148.911
Base-Backbone interact. energy: -0.675
local terms energy: -141.331344
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -37.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -477.118657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.118657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.118657 (E_RNA)
where:
Base-Base interactions energy: -329.521
where: short stacking energy: -158.316
Base-Backbone interact. energy: -0.041
local terms energy: -147.556001
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -27.597
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -431.953696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.953696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.953696 (E_RNA)
where:
Base-Base interactions energy: -305.851
where: short stacking energy: -139.865
Base-Backbone interact. energy: -0.127
local terms energy: -125.975499
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -35.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -388.406078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.406078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.406078 (E_RNA)
where:
Base-Base interactions energy: -267.829
where: short stacking energy: -129.321
Base-Backbone interact. energy: 0.299
local terms energy: -120.875873
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -28.007
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -29.662
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: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -369.387743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.387743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.387743 (E_RNA)
where:
Base-Base interactions energy: -246.034
where: short stacking energy: -122.043
Base-Backbone interact. energy: -0.796
local terms energy: -122.557048
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -31.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -376.819520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.819520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.819520 (E_RNA)
where:
Base-Base interactions energy: -256.685
where: short stacking energy: -101.316
Base-Backbone interact. energy: -1.987
local terms energy: -118.147465
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -28.359
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -306.360215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.360215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.360215 (E_RNA)
where:
Base-Base interactions energy: -196.830
where: short stacking energy: -106.096
Base-Backbone interact. energy: -0.350
local terms energy: -109.180598
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -263.695358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.695358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.695358 (E_RNA)
where:
Base-Base interactions energy: -165.564
where: short stacking energy: -84.378
Base-Backbone interact. energy: -0.602
local terms energy: -97.529809
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -11.924
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: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -231.016054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.016054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.016054 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -79.664
Base-Backbone interact. energy: -0.239
local terms energy: -91.189335
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -13.014
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: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -480.666266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.666266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.666266 (E_RNA)
where:
Base-Base interactions energy: -342.656
where: short stacking energy: -144.469
Base-Backbone interact. energy: -1.368
local terms energy: -136.641957
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -39.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -473.558113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.558113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.558113 (E_RNA)
where:
Base-Base interactions energy: -326.768
where: short stacking energy: -158.000
Base-Backbone interact. energy: -0.903
local terms energy: -145.887017
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -44.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -467.516446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.516446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.516446 (E_RNA)
where:
Base-Base interactions energy: -320.546
where: short stacking energy: -148.562
Base-Backbone interact. energy: -1.975
local terms energy: -144.995779
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -36.549
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -435.262148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.262148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.262148 (E_RNA)
where:
Base-Base interactions energy: -302.680
where: short stacking energy: -130.562
Base-Backbone interact. energy: -1.777
local terms energy: -130.804884
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -35.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -399.551232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.551232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.551232 (E_RNA)
where:
Base-Base interactions energy: -282.063
where: short stacking energy: -136.646
Base-Backbone interact. energy: -0.246
local terms energy: -117.242348
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -36.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -400.966591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.966591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.966591 (E_RNA)
where:
Base-Base interactions energy: -272.194
where: short stacking energy: -126.412
Base-Backbone interact. energy: -0.540
local terms energy: -128.232786
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -29.519
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -32.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -339.491383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.491383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.491383 (E_RNA)
where:
Base-Base interactions energy: -224.788
where: short stacking energy: -103.082
Base-Backbone interact. energy: -0.136
local terms energy: -114.567172
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -27.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -296.286818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.286818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.286818 (E_RNA)
where:
Base-Base interactions energy: -186.693
where: short stacking energy: -94.873
Base-Backbone interact. energy: -0.230
local terms energy: -109.363257
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -22.725
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: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -291.174084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.174084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.174084 (E_RNA)
where:
Base-Base interactions energy: -193.574
where: short stacking energy: -98.386
Base-Backbone interact. energy: -1.088
local terms energy: -96.512163
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -235.953146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.953146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.953146 (E_RNA)
where:
Base-Base interactions energy: -139.012
where: short stacking energy: -64.806
Base-Backbone interact. energy: -0.325
local terms energy: -96.616001
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -477.253641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.253641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.253641 (E_RNA)
where:
Base-Base interactions energy: -332.303
where: short stacking energy: -147.727
Base-Backbone interact. energy: -0.276
local terms energy: -144.674361
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -38.465
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: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -469.123574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.123574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.123574 (E_RNA)
where:
Base-Base interactions energy: -336.588
where: short stacking energy: -147.723
Base-Backbone interact. energy: -1.937
local terms energy: -130.598535
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -38.487
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: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -464.614186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.614186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.614186 (E_RNA)
where:
Base-Base interactions energy: -327.411
where: short stacking energy: -144.424
Base-Backbone interact. energy: -0.077
local terms energy: -137.126096
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -40.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -431.404440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.404440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.404440 (E_RNA)
where:
Base-Base interactions energy: -298.771
where: short stacking energy: -133.041
Base-Backbone interact. energy: -0.692
local terms energy: -131.941764
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -34.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -417.683688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.683688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.683688 (E_RNA)
where:
Base-Base interactions energy: -290.070
where: short stacking energy: -129.264
Base-Backbone interact. energy: -2.846
local terms energy: -124.768318
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -35.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -412.741279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.741279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.741279 (E_RNA)
where:
Base-Base interactions energy: -290.233
where: short stacking energy: -132.615
Base-Backbone interact. energy: -0.111
local terms energy: -122.397560
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -360.761418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.761418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.761418 (E_RNA)
where:
Base-Base interactions energy: -246.973
where: short stacking energy: -120.104
Base-Backbone interact. energy: -1.029
local terms energy: -112.759264
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -27.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -308.146814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.146814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.146814 (E_RNA)
where:
Base-Base interactions energy: -197.439
where: short stacking energy: -101.930
Base-Backbone interact. energy: -0.055
local terms energy: -110.652912
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -289.044530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.044530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.044530 (E_RNA)
where:
Base-Base interactions energy: -186.541
where: short stacking energy: -87.267
Base-Backbone interact. energy: 0.119
local terms energy: -102.622260
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -243.158689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.158689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.158689 (E_RNA)
where:
Base-Base interactions energy: -151.187
where: short stacking energy: -87.086
Base-Backbone interact. energy: -0.163
local terms energy: -91.808551
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -481.897658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.897658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.897658 (E_RNA)
where:
Base-Base interactions energy: -334.161
where: short stacking energy: -144.560
Base-Backbone interact. energy: -1.060
local terms energy: -146.676775
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -479.433893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.433893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.433893 (E_RNA)
where:
Base-Base interactions energy: -338.711
where: short stacking energy: -145.074
Base-Backbone interact. energy: -0.362
local terms energy: -140.361068
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -38.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -454.939272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.939272 (E_RNA)
where:
Base-Base interactions energy: -319.705
where: short stacking energy: -146.500
Base-Backbone interact. energy: -0.012
local terms energy: -135.222270
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -37.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -433.901955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.901955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.901955 (E_RNA)
where:
Base-Base interactions energy: -293.959
where: short stacking energy: -133.007
Base-Backbone interact. energy: -1.913
local terms energy: -138.030062
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -27.399
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -35.597
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -402.140450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.140450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.140450 (E_RNA)
where:
Base-Base interactions energy: -272.595
where: short stacking energy: -119.837
Base-Backbone interact. energy: -2.369
local terms energy: -127.176450
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -414.422948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.422948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.422948 (E_RNA)
where:
Base-Base interactions energy: -286.707
where: short stacking energy: -120.729
Base-Backbone interact. energy: -0.582
local terms energy: -127.134000
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -34.368
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -391.315640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.315640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.315640 (E_RNA)
where:
Base-Base interactions energy: -272.487
where: short stacking energy: -129.752
Base-Backbone interact. energy: 0.501
local terms energy: -119.329349
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -32.468
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: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -308.618061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.618061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.618061 (E_RNA)
where:
Base-Base interactions energy: -195.030
where: short stacking energy: -105.789
Base-Backbone interact. energy: 0.358
local terms energy: -113.945981
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -31.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -302.148335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.148335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.148335 (E_RNA)
where:
Base-Base interactions energy: -197.273
where: short stacking energy: -89.828
Base-Backbone interact. energy: 0.264
local terms energy: -105.139275
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -233.495241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.495241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.495241 (E_RNA)
where:
Base-Base interactions energy: -141.682
where: short stacking energy: -78.779
Base-Backbone interact. energy: 0.036
local terms energy: -91.848965
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -18.461
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: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -482.123086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.123086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.123086 (E_RNA)
where:
Base-Base interactions energy: -350.542
where: short stacking energy: -149.673
Base-Backbone interact. energy: -0.970
local terms energy: -130.611051
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -39.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -477.699093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.699093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.699093 (E_RNA)
where:
Base-Base interactions energy: -331.935
where: short stacking energy: -156.602
Base-Backbone interact. energy: -0.017
local terms energy: -145.747479
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -29.991
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -45.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -430.791240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.791240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.791240 (E_RNA)
where:
Base-Base interactions energy: -300.411
where: short stacking energy: -129.216
Base-Backbone interact. energy: -0.532
local terms energy: -129.849143
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -466.322232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.322232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.322232 (E_RNA)
where:
Base-Base interactions energy: -325.930
where: short stacking energy: -146.559
Base-Backbone interact. energy: -0.541
local terms energy: -139.851173
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -36.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -425.933217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.933217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.933217 (E_RNA)
where:
Base-Base interactions energy: -293.772
where: short stacking energy: -138.851
Base-Backbone interact. energy: 1.694
local terms energy: -133.855522
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -37.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -397.683051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.683051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.683051 (E_RNA)
where:
Base-Base interactions energy: -270.601
where: short stacking energy: -130.100
Base-Backbone interact. energy: 2.036
local terms energy: -129.117769
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -30.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -323.866399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.866399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.866399 (E_RNA)
where:
Base-Base interactions energy: -213.826
where: short stacking energy: -105.976
Base-Backbone interact. energy: 0.830
local terms energy: -110.870296
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -31.450
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -22.671
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: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -391.650756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.650756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.650756 (E_RNA)
where:
Base-Base interactions energy: -276.989
where: short stacking energy: -122.562
Base-Backbone interact. energy: 0.233
local terms energy: -114.895511
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -28.588
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: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -234.203862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.203862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.203862 (E_RNA)
where:
Base-Base interactions energy: -157.883
where: short stacking energy: -87.697
Base-Backbone interact. energy: -0.159
local terms energy: -76.162387
where:
bonds (distance) C4'-P energy: -5.618
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -7.968
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -269.476355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.476355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.476355 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.229
local terms energy: -99.491215
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -483.802150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.802150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.802150 (E_RNA)
where:
Base-Base interactions energy: -340.344
where: short stacking energy: -145.139
Base-Backbone interact. energy: -0.690
local terms energy: -142.768597
where:
bonds (distance) C4'-P energy: -26.207
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -37.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -474.226915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.226915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.226915 (E_RNA)
where:
Base-Base interactions energy: -322.806
where: short stacking energy: -152.220
Base-Backbone interact. energy: -0.094
local terms energy: -151.326848
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -41.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -434.014211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.014211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.014211 (E_RNA)
where:
Base-Base interactions energy: -300.717
where: short stacking energy: -130.959
Base-Backbone interact. energy: -0.576
local terms energy: -132.721542
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -34.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -429.963155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.963155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.963155 (E_RNA)
where:
Base-Base interactions energy: -302.796
where: short stacking energy: -139.350
Base-Backbone interact. energy: 0.858
local terms energy: -128.025271
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -34.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -425.793319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.793319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.793319 (E_RNA)
where:
Base-Base interactions energy: -307.179
where: short stacking energy: -127.729
Base-Backbone interact. energy: -0.560
local terms energy: -118.053503
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -378.522514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.522514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.522514 (E_RNA)
where:
Base-Base interactions energy: -261.369
where: short stacking energy: -116.150
Base-Backbone interact. energy: -0.264
local terms energy: -116.888771
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -24.908
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: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -339.993657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.993657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.993657 (E_RNA)
where:
Base-Base interactions energy: -218.917
where: short stacking energy: -114.069
Base-Backbone interact. energy: -0.871
local terms energy: -120.205777
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -28.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -376.259835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.259835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.259835 (E_RNA)
where:
Base-Base interactions energy: -273.919
where: short stacking energy: -115.456
Base-Backbone interact. energy: 0.668
local terms energy: -103.008580
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -25.403
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: -252.991226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.991226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.991226 (E_RNA)
where:
Base-Base interactions energy: -153.983
where: short stacking energy: -81.220
Base-Backbone interact. energy: 1.256
local terms energy: -100.264580
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -14.866
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: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -272.174226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.174226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.174226 (E_RNA)
where:
Base-Base interactions energy: -181.318
where: short stacking energy: -79.081
Base-Backbone interact. energy: -0.614
local terms energy: -90.242315
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -477.327818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.327818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.327818 (E_RNA)
where:
Base-Base interactions energy: -334.223
where: short stacking energy: -143.989
Base-Backbone interact. energy: -0.526
local terms energy: -142.578980
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -474.935720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.935720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.935720 (E_RNA)
where:
Base-Base interactions energy: -331.122
where: short stacking energy: -155.573
Base-Backbone interact. energy: -0.312
local terms energy: -143.501491
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -44.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -450.006390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.006390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.006390 (E_RNA)
where:
Base-Base interactions energy: -323.866
where: short stacking energy: -145.054
Base-Backbone interact. energy: -0.244
local terms energy: -125.896446
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -34.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -404.403784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.403784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.403784 (E_RNA)
where:
Base-Base interactions energy: -278.859
where: short stacking energy: -129.455
Base-Backbone interact. energy: -1.682
local terms energy: -123.862566
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -33.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -423.187357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.187357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.187357 (E_RNA)
where:
Base-Base interactions energy: -293.279
where: short stacking energy: -138.607
Base-Backbone interact. energy: -0.213
local terms energy: -129.695451
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -33.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -381.038841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.038841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.038841 (E_RNA)
where:
Base-Base interactions energy: -263.860
where: short stacking energy: -132.285
Base-Backbone interact. energy: 0.439
local terms energy: -117.617731
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -28.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -383.404727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.404727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.404727 (E_RNA)
where:
Base-Base interactions energy: -262.940
where: short stacking energy: -110.796
Base-Backbone interact. energy: -0.334
local terms energy: -120.130554
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -31.043
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -31.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -323.833951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.833951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.833951 (E_RNA)
where:
Base-Base interactions energy: -206.819
where: short stacking energy: -106.563
Base-Backbone interact. energy: -0.150
local terms energy: -116.864437
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -265.658534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.658534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.658534 (E_RNA)
where:
Base-Base interactions energy: -165.734
where: short stacking energy: -94.130
Base-Backbone interact. energy: -0.133
local terms energy: -99.791054
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -13.941
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: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -253.031289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.031289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.031289 (E_RNA)
where:
Base-Base interactions energy: -155.079
where: short stacking energy: -83.807
Base-Backbone interact. energy: -0.882
local terms energy: -97.070048
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -483.593350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.593350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.593350 (E_RNA)
where:
Base-Base interactions energy: -338.534
where: short stacking energy: -143.587
Base-Backbone interact. energy: -0.996
local terms energy: -144.062840
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -36.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -476.748443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.748443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.748443 (E_RNA)
where:
Base-Base interactions energy: -325.906
where: short stacking energy: -145.160
Base-Backbone interact. energy: -0.688
local terms energy: -150.153849
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -42.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -442.269460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.269460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.269460 (E_RNA)
where:
Base-Base interactions energy: -306.897
where: short stacking energy: -146.535
Base-Backbone interact. energy: -0.037
local terms energy: -135.335893
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -37.968
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: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -430.720474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.720474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.720474 (E_RNA)
where:
Base-Base interactions energy: -304.977
where: short stacking energy: -129.471
Base-Backbone interact. energy: -0.766
local terms energy: -124.977628
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -31.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -414.717561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.717561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.717561 (E_RNA)
where:
Base-Base interactions energy: -292.758
where: short stacking energy: -144.817
Base-Backbone interact. energy: -0.651
local terms energy: -121.308448
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -37.832
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -395.853021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.853021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.853021 (E_RNA)
where:
Base-Base interactions energy: -272.839
where: short stacking energy: -123.036
Base-Backbone interact. energy: -0.305
local terms energy: -122.709491
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -29.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -382.518294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.518294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.518294 (E_RNA)
where:
Base-Base interactions energy: -273.538
where: short stacking energy: -115.462
Base-Backbone interact. energy: -0.087
local terms energy: -108.894118
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -318.675157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.675157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.675157 (E_RNA)
where:
Base-Base interactions energy: -210.530
where: short stacking energy: -105.476
Base-Backbone interact. energy: -0.301
local terms energy: -107.843803
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -25.811
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: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -276.248625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.248625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.248625 (E_RNA)
where:
Base-Base interactions energy: -170.406
where: short stacking energy: -81.909
Base-Backbone interact. energy: -2.349
local terms energy: -103.493563
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -232.982175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.982175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.982175 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -79.202
Base-Backbone interact. energy: -0.523
local terms energy: -94.694911
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -14.943
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: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -487.404770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.404770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.404770 (E_RNA)
where:
Base-Base interactions energy: -327.491
where: short stacking energy: -159.052
Base-Backbone interact. energy: -0.775
local terms energy: -159.138221
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -47.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -482.202314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.202314 (E_RNA)
where:
Base-Base interactions energy: -335.538
where: short stacking energy: -152.645
Base-Backbone interact. energy: -0.702
local terms energy: -145.962105
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -39.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -454.656595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.656595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.656595 (E_RNA)
where:
Base-Base interactions energy: -311.665
where: short stacking energy: -142.249
Base-Backbone interact. energy: -0.208
local terms energy: -142.783849
where:
bonds (distance) C4'-P energy: -28.162
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -37.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -432.766822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.766822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.766822 (E_RNA)
where:
Base-Base interactions energy: -310.025
where: short stacking energy: -150.157
Base-Backbone interact. energy: -0.199
local terms energy: -122.543294
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -36.349
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: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -405.886324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.886324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.886324 (E_RNA)
where:
Base-Base interactions energy: -272.631
where: short stacking energy: -113.256
Base-Backbone interact. energy: -3.267
local terms energy: -129.988212
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -29.600
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: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -381.045472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.045472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.045472 (E_RNA)
where:
Base-Base interactions energy: -271.706
where: short stacking energy: -115.877
Base-Backbone interact. energy: -0.741
local terms energy: -108.598794
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -27.563
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: 110
Temperature: 1.200000
Total energy: -383.535390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.535390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.535390 (E_RNA)
where:
Base-Base interactions energy: -266.204
where: short stacking energy: -112.305
Base-Backbone interact. energy: -1.382
local terms energy: -115.948722
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -25.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -328.549922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.549922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.549922 (E_RNA)
where:
Base-Base interactions energy: -206.601
where: short stacking energy: -101.011
Base-Backbone interact. energy: -1.521
local terms energy: -120.428720
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -275.761854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.761854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.761854 (E_RNA)
where:
Base-Base interactions energy: -166.357
where: short stacking energy: -87.715
Base-Backbone interact. energy: -0.578
local terms energy: -108.827134
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -16.914
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: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -194.447495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.447495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.447495 (E_RNA)
where:
Base-Base interactions energy: -115.248
where: short stacking energy: -54.600
Base-Backbone interact. energy: 0.059
local terms energy: -79.258789
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -28.339
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -13.986
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: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -499.580607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.580607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.580607 (E_RNA)
where:
Base-Base interactions energy: -348.902
where: short stacking energy: -162.847
Base-Backbone interact. energy: -0.367
local terms energy: -150.311550
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -45.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -479.828878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.828878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.828878 (E_RNA)
where:
Base-Base interactions energy: -337.691
where: short stacking energy: -141.026
Base-Backbone interact. energy: -0.769
local terms energy: -141.368890
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -36.608
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: 111
Temperature: 1.000000
Total energy: -432.893139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.893139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.893139 (E_RNA)
where:
Base-Base interactions energy: -297.297
where: short stacking energy: -126.391
Base-Backbone interact. energy: -0.475
local terms energy: -135.121246
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -31.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -434.519060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.519060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.519060 (E_RNA)
where:
Base-Base interactions energy: -305.525
where: short stacking energy: -129.752
Base-Backbone interact. energy: -0.117
local terms energy: -128.876469
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -35.419
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: 111
Temperature: 1.100000
Total energy: -406.068248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.068248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.068248 (E_RNA)
where:
Base-Base interactions energy: -290.665
where: short stacking energy: -122.596
Base-Backbone interact. energy: -1.611
local terms energy: -113.791733
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -30.947
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: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -363.076446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.076446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.076446 (E_RNA)
where:
Base-Base interactions energy: -250.187
where: short stacking energy: -125.400
Base-Backbone interact. energy: -0.025
local terms energy: -112.864512
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -28.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -388.152259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.152259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.152259 (E_RNA)
where:
Base-Base interactions energy: -263.267
where: short stacking energy: -132.807
Base-Backbone interact. energy: -0.861
local terms energy: -124.024987
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -29.933
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: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -320.806947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.806947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.806947 (E_RNA)
where:
Base-Base interactions energy: -217.174
where: short stacking energy: -104.970
Base-Backbone interact. energy: -1.039
local terms energy: -102.593876
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -292.666843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.666843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.666843 (E_RNA)
where:
Base-Base interactions energy: -218.572
where: short stacking energy: -95.425
Base-Backbone interact. energy: -0.276
local terms energy: -73.818454
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -246.312877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.312877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.312877 (E_RNA)
where:
Base-Base interactions energy: -146.398
where: short stacking energy: -75.698
Base-Backbone interact. energy: -1.282
local terms energy: -98.633124
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -16.047
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: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -470.034480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.034480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.034480 (E_RNA)
where:
Base-Base interactions energy: -331.405
where: short stacking energy: -141.147
Base-Backbone interact. energy: 1.495
local terms energy: -140.125161
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -26.053
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -40.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -480.172735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.172735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.172735 (E_RNA)
where:
Base-Base interactions energy: -332.998
where: short stacking energy: -153.696
Base-Backbone interact. energy: -1.157
local terms energy: -146.017913
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -21.776
tors. eta vs tors. theta energy: -40.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -432.727567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.727567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.727567 (E_RNA)
where:
Base-Base interactions energy: -303.390
where: short stacking energy: -142.525
Base-Backbone interact. energy: -0.757
local terms energy: -128.580321
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -38.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -444.549936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.549936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.549936 (E_RNA)
where:
Base-Base interactions energy: -311.831
where: short stacking energy: -149.233
Base-Backbone interact. energy: 2.290
local terms energy: -135.008688
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -38.681
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: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -375.088872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.088872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.088872 (E_RNA)
where:
Base-Base interactions energy: -258.555
where: short stacking energy: -120.779
Base-Backbone interact. energy: -0.375
local terms energy: -116.158473
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -32.685
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: 112
Temperature: 1.150000
Total energy: -391.291344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.291344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.291344 (E_RNA)
where:
Base-Base interactions energy: -258.070
where: short stacking energy: -116.816
Base-Backbone interact. energy: -0.745
local terms energy: -132.476306
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -28.713
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -26.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -392.386958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.386958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.386958 (E_RNA)
where:
Base-Base interactions energy: -272.502
where: short stacking energy: -127.961
Base-Backbone interact. energy: -0.377
local terms energy: -119.507728
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -27.466
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -31.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -308.274431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.274431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.274431 (E_RNA)
where:
Base-Base interactions energy: -208.531
where: short stacking energy: -90.786
Base-Backbone interact. energy: -1.074
local terms energy: -98.669709
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -299.189187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.189187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.189187 (E_RNA)
where:
Base-Base interactions energy: -202.541
where: short stacking energy: -95.483
Base-Backbone interact. energy: -0.128
local terms energy: -96.520588
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -17.007
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: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -193.326111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.326111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.326111 (E_RNA)
where:
Base-Base interactions energy: -112.291
where: short stacking energy: -53.365
Base-Backbone interact. energy: -0.338
local terms energy: -80.697287
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -14.820
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: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -466.344995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.344995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.344995 (E_RNA)
where:
Base-Base interactions energy: -320.628
where: short stacking energy: -140.072
Base-Backbone interact. energy: -0.504
local terms energy: -145.212718
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -38.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -474.521913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.521913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.521913 (E_RNA)
where:
Base-Base interactions energy: -332.431
where: short stacking energy: -151.200
Base-Backbone interact. energy: -0.136
local terms energy: -141.954792
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -40.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -439.633653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.633653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.633653 (E_RNA)
where:
Base-Base interactions energy: -301.106
where: short stacking energy: -145.094
Base-Backbone interact. energy: -0.763
local terms energy: -137.764448
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -42.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -431.733107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.733107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.733107 (E_RNA)
where:
Base-Base interactions energy: -299.676
where: short stacking energy: -127.150
Base-Backbone interact. energy: -1.142
local terms energy: -130.915557
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -26.838
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -28.818
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -412.278471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.278471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.278471 (E_RNA)
where:
Base-Base interactions energy: -291.053
where: short stacking energy: -136.929
Base-Backbone interact. energy: 0.169
local terms energy: -121.394937
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -31.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -389.023006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.023006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.023006 (E_RNA)
where:
Base-Base interactions energy: -261.246
where: short stacking energy: -124.960
Base-Backbone interact. energy: -0.143
local terms energy: -127.633998
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -31.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -363.848239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.848239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.848239 (E_RNA)
where:
Base-Base interactions energy: -246.828
where: short stacking energy: -113.212
Base-Backbone interact. energy: -0.228
local terms energy: -116.792827
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -30.853
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: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -292.226401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.226401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.226401 (E_RNA)
where:
Base-Base interactions energy: -193.811
where: short stacking energy: -98.087
Base-Backbone interact. energy: -1.234
local terms energy: -97.181415
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -296.321578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.321578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.321578 (E_RNA)
where:
Base-Base interactions energy: -200.555
where: short stacking energy: -84.557
Base-Backbone interact. energy: 0.734
local terms energy: -96.500553
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -17.657
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: 113
Temperature: 1.350000
Total energy: -162.968467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.968467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.968467 (E_RNA)
where:
Base-Base interactions energy: -98.603
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.240
local terms energy: -64.125722
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -477.166533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.166533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.166533 (E_RNA)
where:
Base-Base interactions energy: -329.910
where: short stacking energy: -151.858
Base-Backbone interact. energy: -0.499
local terms energy: -146.758418
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -42.372
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: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -455.616513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.616513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.616513 (E_RNA)
where:
Base-Base interactions energy: -323.245
where: short stacking energy: -140.665
Base-Backbone interact. energy: -0.120
local terms energy: -132.250743
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -37.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -446.930729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.930729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.930729 (E_RNA)
where:
Base-Base interactions energy: -301.452
where: short stacking energy: -126.741
Base-Backbone interact. energy: -2.270
local terms energy: -143.208062
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -424.477813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.477813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.477813 (E_RNA)
where:
Base-Base interactions energy: -290.677
where: short stacking energy: -122.734
Base-Backbone interact. energy: -0.358
local terms energy: -133.442708
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -385.360256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.360256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.360256 (E_RNA)
where:
Base-Base interactions energy: -268.054
where: short stacking energy: -110.502
Base-Backbone interact. energy: 0.398
local terms energy: -117.704639
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -393.866350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.866350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.866350 (E_RNA)
where:
Base-Base interactions energy: -268.811
where: short stacking energy: -126.229
Base-Backbone interact. energy: -0.596
local terms energy: -124.459526
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -31.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -296.001594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.001594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.001594 (E_RNA)
where:
Base-Base interactions energy: -181.725
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.726
local terms energy: -113.550454
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -320.023273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.023273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.023273 (E_RNA)
where:
Base-Base interactions energy: -209.358
where: short stacking energy: -94.568
Base-Backbone interact. energy: -0.818
local terms energy: -109.847163
where:
bonds (distance) C4'-P energy: -26.655
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -284.462522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.462522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.462522 (E_RNA)
where:
Base-Base interactions energy: -191.298
where: short stacking energy: -76.046
Base-Backbone interact. energy: -2.324
local terms energy: -90.840250
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -212.409349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.409349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.409349 (E_RNA)
where:
Base-Base interactions energy: -131.525
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.411
local terms energy: -80.473430
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -2.105
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: 115
Temperature: 0.900000
Total energy: -477.716263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.716263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.716263 (E_RNA)
where:
Base-Base interactions energy: -326.002
where: short stacking energy: -150.338
Base-Backbone interact. energy: -0.037
local terms energy: -151.677078
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -44.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -444.973885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.973885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.973885 (E_RNA)
where:
Base-Base interactions energy: -307.850
where: short stacking energy: -145.533
Base-Backbone interact. energy: -0.224
local terms energy: -136.899747
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -32.557
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -36.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -453.898279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.898279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.898279 (E_RNA)
where:
Base-Base interactions energy: -312.762
where: short stacking energy: -136.016
Base-Backbone interact. energy: -1.560
local terms energy: -139.576578
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -439.975158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.975158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.975158 (E_RNA)
where:
Base-Base interactions energy: -298.050
where: short stacking energy: -134.110
Base-Backbone interact. energy: 0.348
local terms energy: -142.273708
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -41.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -406.394802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.394802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.394802 (E_RNA)
where:
Base-Base interactions energy: -271.589
where: short stacking energy: -123.480
Base-Backbone interact. energy: 1.434
local terms energy: -136.240147
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -29.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -402.159992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.159992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.159992 (E_RNA)
where:
Base-Base interactions energy: -275.942
where: short stacking energy: -129.331
Base-Backbone interact. energy: -1.058
local terms energy: -125.159817
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -35.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -353.044764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.044764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.044764 (E_RNA)
where:
Base-Base interactions energy: -233.287
where: short stacking energy: -115.821
Base-Backbone interact. energy: -0.134
local terms energy: -119.623849
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -31.130
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: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -312.551409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.551409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.551409 (E_RNA)
where:
Base-Base interactions energy: -204.388
where: short stacking energy: -83.566
Base-Backbone interact. energy: -1.826
local terms energy: -106.337400
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -277.893834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.893834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.893834 (E_RNA)
where:
Base-Base interactions energy: -198.975
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.188
local terms energy: -78.731111
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -236.712973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.712973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.712973 (E_RNA)
where:
Base-Base interactions energy: -149.925
where: short stacking energy: -74.110
Base-Backbone interact. energy: -1.227
local terms energy: -85.561162
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -489.240953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.240953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.240953 (E_RNA)
where:
Base-Base interactions energy: -332.536
where: short stacking energy: -155.191
Base-Backbone interact. energy: -1.126
local terms energy: -155.579440
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -42.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -443.981557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.981557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.981557 (E_RNA)
where:
Base-Base interactions energy: -306.309
where: short stacking energy: -138.431
Base-Backbone interact. energy: -0.327
local terms energy: -137.345236
where:
bonds (distance) C4'-P energy: -30.408
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -37.428
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: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -442.583062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.583062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.583062 (E_RNA)
where:
Base-Base interactions energy: -302.228
where: short stacking energy: -123.000
Base-Backbone interact. energy: 2.149
local terms energy: -142.503870
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: -34.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -444.437100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.437100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.437100 (E_RNA)
where:
Base-Base interactions energy: -309.958
where: short stacking energy: -139.596
Base-Backbone interact. energy: -0.178
local terms energy: -134.301589
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -420.774281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.774281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.774281 (E_RNA)
where:
Base-Base interactions energy: -286.443
where: short stacking energy: -146.843
Base-Backbone interact. energy: 0.361
local terms energy: -134.691504
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -43.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -394.219190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.219190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.219190 (E_RNA)
where:
Base-Base interactions energy: -271.936
where: short stacking energy: -118.479
Base-Backbone interact. energy: -0.644
local terms energy: -121.638716
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -345.654143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.654143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.654143 (E_RNA)
where:
Base-Base interactions energy: -225.874
where: short stacking energy: -97.766
Base-Backbone interact. energy: -1.769
local terms energy: -118.010741
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -316.662381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.662381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.662381 (E_RNA)
where:
Base-Base interactions energy: -214.723
where: short stacking energy: -108.344
Base-Backbone interact. energy: -0.048
local terms energy: -101.891931
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -294.243876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.243876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.243876 (E_RNA)
where:
Base-Base interactions energy: -205.179
where: short stacking energy: -96.798
Base-Backbone interact. energy: 0.009
local terms energy: -89.073224
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -24.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -254.433079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.433079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.433079 (E_RNA)
where:
Base-Base interactions energy: -153.275
where: short stacking energy: -88.127
Base-Backbone interact. energy: -0.167
local terms energy: -100.990662
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -484.272050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.272050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.272050 (E_RNA)
where:
Base-Base interactions energy: -329.286
where: short stacking energy: -151.252
Base-Backbone interact. energy: -0.984
local terms energy: -154.002306
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -450.008294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.008294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.008294 (E_RNA)
where:
Base-Base interactions energy: -308.436
where: short stacking energy: -144.523
Base-Backbone interact. energy: -0.316
local terms energy: -141.255866
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -35.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -455.488015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.488015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.488015 (E_RNA)
where:
Base-Base interactions energy: -312.508
where: short stacking energy: -135.479
Base-Backbone interact. energy: -0.877
local terms energy: -142.102986
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -450.866868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.866868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.866868 (E_RNA)
where:
Base-Base interactions energy: -319.162
where: short stacking energy: -137.364
Base-Backbone interact. energy: 0.331
local terms energy: -132.035597
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -34.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -395.994587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.994587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.994587 (E_RNA)
where:
Base-Base interactions energy: -266.746
where: short stacking energy: -120.587
Base-Backbone interact. energy: -0.496
local terms energy: -128.752450
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -32.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -388.041702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.041702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.041702 (E_RNA)
where:
Base-Base interactions energy: -273.436
where: short stacking energy: -126.484
Base-Backbone interact. energy: -0.428
local terms energy: -114.178273
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -34.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -363.375792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.375792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.375792 (E_RNA)
where:
Base-Base interactions energy: -241.705
where: short stacking energy: -113.716
Base-Backbone interact. energy: -0.800
local terms energy: -120.870602
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -313.846770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.846770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.846770 (E_RNA)
where:
Base-Base interactions energy: -200.486
where: short stacking energy: -93.287
Base-Backbone interact. energy: -0.387
local terms energy: -112.973463
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -279.310816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.310816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.310816 (E_RNA)
where:
Base-Base interactions energy: -170.129
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.176
local terms energy: -109.005368
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -244.792157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.792157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.792157 (E_RNA)
where:
Base-Base interactions energy: -148.450
where: short stacking energy: -74.617
Base-Backbone interact. energy: 5.019
local terms energy: -101.361294
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -16.799
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: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -478.999233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.999233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.999233 (E_RNA)
where:
Base-Base interactions energy: -335.653
where: short stacking energy: -152.110
Base-Backbone interact. energy: -0.044
local terms energy: -143.302577
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -36.904
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: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -450.528721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.528721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.528721 (E_RNA)
where:
Base-Base interactions energy: -311.724
where: short stacking energy: -148.550
Base-Backbone interact. energy: -0.284
local terms energy: -138.520163
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -37.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -440.516785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.516785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.516785 (E_RNA)
where:
Base-Base interactions energy: -300.531
where: short stacking energy: -135.578
Base-Backbone interact. energy: -0.150
local terms energy: -139.835984
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -38.635
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -429.200817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.200817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.200817 (E_RNA)
where:
Base-Base interactions energy: -299.481
where: short stacking energy: -130.661
Base-Backbone interact. energy: -1.059
local terms energy: -128.660930
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -27.670
flat angles C4'-P-C4' energy: -30.291
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -30.207
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: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -399.517882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.517882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.517882 (E_RNA)
where:
Base-Base interactions energy: -287.530
where: short stacking energy: -132.961
Base-Backbone interact. energy: 3.651
local terms energy: -115.639219
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -376.602457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.602457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.602457 (E_RNA)
where:
Base-Base interactions energy: -247.768
where: short stacking energy: -114.344
Base-Backbone interact. energy: -0.059
local terms energy: -128.775049
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -30.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -343.177653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.177653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.177653 (E_RNA)
where:
Base-Base interactions energy: -232.783
where: short stacking energy: -106.199
Base-Backbone interact. energy: -0.610
local terms energy: -109.784581
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -13.472
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: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -324.638512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.638512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.638512 (E_RNA)
where:
Base-Base interactions energy: -223.837
where: short stacking energy: -106.246
Base-Backbone interact. energy: -0.020
local terms energy: -100.780900
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -255.385505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.385505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.385505 (E_RNA)
where:
Base-Base interactions energy: -161.742
where: short stacking energy: -89.745
Base-Backbone interact. energy: 0.924
local terms energy: -94.567154
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -10.418
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: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -244.396398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.396398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.396398 (E_RNA)
where:
Base-Base interactions energy: -150.762
where: short stacking energy: -84.197
Base-Backbone interact. energy: -0.290
local terms energy: -93.345073
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -477.483768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.483768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.483768 (E_RNA)
where:
Base-Base interactions energy: -332.561
where: short stacking energy: -147.508
Base-Backbone interact. energy: -0.739
local terms energy: -144.183999
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -455.037466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.037466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.037466 (E_RNA)
where:
Base-Base interactions energy: -316.390
where: short stacking energy: -141.089
Base-Backbone interact. energy: -0.777
local terms energy: -137.870957
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -33.993
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: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -438.268285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.268285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.268285 (E_RNA)
where:
Base-Base interactions energy: -307.080
where: short stacking energy: -145.442
Base-Backbone interact. energy: -0.658
local terms energy: -130.530305
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -444.950777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.950777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.950777 (E_RNA)
where:
Base-Base interactions energy: -308.299
where: short stacking energy: -146.740
Base-Backbone interact. energy: -1.062
local terms energy: -135.589926
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -25.521
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -37.339
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -405.560928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.560928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.560928 (E_RNA)
where:
Base-Base interactions energy: -271.961
where: short stacking energy: -136.155
Base-Backbone interact. energy: -0.269
local terms energy: -133.330446
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -39.537
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: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -398.374509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.374509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.374509 (E_RNA)
where:
Base-Base interactions energy: -281.834
where: short stacking energy: -114.700
Base-Backbone interact. energy: -0.058
local terms energy: -116.482651
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -32.106
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: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -366.768906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.768906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.768906 (E_RNA)
where:
Base-Base interactions energy: -254.435
where: short stacking energy: -121.790
Base-Backbone interact. energy: -1.654
local terms energy: -110.679525
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -32.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -342.115643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.115643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.115643 (E_RNA)
where:
Base-Base interactions energy: -227.438
where: short stacking energy: -116.860
Base-Backbone interact. energy: -0.542
local terms energy: -114.135379
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -268.851358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.851358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.851358 (E_RNA)
where:
Base-Base interactions energy: -173.832
where: short stacking energy: -91.471
Base-Backbone interact. energy: 0.478
local terms energy: -95.496578
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -243.264350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.264350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.264350 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -79.220
Base-Backbone interact. energy: -0.252
local terms energy: -92.665655
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -467.891648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.891648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.891648 (E_RNA)
where:
Base-Base interactions energy: -320.677
where: short stacking energy: -150.139
Base-Backbone interact. energy: -0.092
local terms energy: -147.122363
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -40.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -455.079768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.079768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.079768 (E_RNA)
where:
Base-Base interactions energy: -309.311
where: short stacking energy: -133.688
Base-Backbone interact. energy: -2.164
local terms energy: -143.605074
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -36.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -437.302016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.302016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.302016 (E_RNA)
where:
Base-Base interactions energy: -297.084
where: short stacking energy: -125.795
Base-Backbone interact. energy: -0.504
local terms energy: -139.713587
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -31.976
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: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -440.920339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.920339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.920339 (E_RNA)
where:
Base-Base interactions energy: -296.860
where: short stacking energy: -133.267
Base-Backbone interact. energy: -0.044
local terms energy: -144.015884
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -34.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -424.438704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.438704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.438704 (E_RNA)
where:
Base-Base interactions energy: -294.374
where: short stacking energy: -138.699
Base-Backbone interact. energy: -0.876
local terms energy: -129.188873
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -36.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -384.668957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.668957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.668957 (E_RNA)
where:
Base-Base interactions energy: -264.688
where: short stacking energy: -132.094
Base-Backbone interact. energy: 0.066
local terms energy: -120.046805
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -32.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -348.888521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.888521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.888521 (E_RNA)
where:
Base-Base interactions energy: -226.075
where: short stacking energy: -117.813
Base-Backbone interact. energy: -0.545
local terms energy: -122.268256
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -33.883
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: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -342.785355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.785355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.785355 (E_RNA)
where:
Base-Base interactions energy: -219.095
where: short stacking energy: -98.438
Base-Backbone interact. energy: 0.070
local terms energy: -123.760381
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -26.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -258.168551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.168551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.168551 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -86.914
Base-Backbone interact. energy: -0.895
local terms energy: -97.489039
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -14.759
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: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -249.447628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.447628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.447628 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -80.152
Base-Backbone interact. energy: -0.336
local terms energy: -88.472682
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -10.873
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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -483.727946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.727946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.727946 (E_RNA)
where:
Base-Base interactions energy: -334.814
where: short stacking energy: -149.718
Base-Backbone interact. energy: -0.034
local terms energy: -148.879668
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -38.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -449.559727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.559727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.559727 (E_RNA)
where:
Base-Base interactions energy: -302.247
where: short stacking energy: -137.360
Base-Backbone interact. energy: -0.004
local terms energy: -147.308982
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -28.455
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -446.286093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.286093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.286093 (E_RNA)
where:
Base-Base interactions energy: -309.454
where: short stacking energy: -124.081
Base-Backbone interact. energy: -1.720
local terms energy: -135.112532
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -27.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -430.829673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.829673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.829673 (E_RNA)
where:
Base-Base interactions energy: -289.327
where: short stacking energy: -137.574
Base-Backbone interact. energy: -0.701
local terms energy: -140.801701
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -35.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -405.886184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.886184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.886184 (E_RNA)
where:
Base-Base interactions energy: -285.288
where: short stacking energy: -132.061
Base-Backbone interact. energy: -1.404
local terms energy: -119.193682
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -343.623299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.623299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.623299 (E_RNA)
where:
Base-Base interactions energy: -233.252
where: short stacking energy: -117.624
Base-Backbone interact. energy: -0.091
local terms energy: -110.280597
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -367.415980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.415980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.415980 (E_RNA)
where:
Base-Base interactions energy: -248.955
where: short stacking energy: -111.647
Base-Backbone interact. energy: -0.846
local terms energy: -117.614886
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -334.514670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.514670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.514670 (E_RNA)
where:
Base-Base interactions energy: -215.677
where: short stacking energy: -109.994
Base-Backbone interact. energy: -0.726
local terms energy: -118.111720
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -253.792249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.792249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.792249 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.272
local terms energy: -103.173682
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -13.805
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: 121
Temperature: 1.350000
Total energy: -226.043321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.043321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.043321 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -64.777
Base-Backbone interact. energy: -0.479
local terms energy: -96.468829
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -456.601885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.601885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.601885 (E_RNA)
where:
Base-Base interactions energy: -315.428
where: short stacking energy: -149.079
Base-Backbone interact. energy: -1.406
local terms energy: -139.767896
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -35.346
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -34.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -473.309080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.309080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.309080 (E_RNA)
where:
Base-Base interactions energy: -328.925
where: short stacking energy: -136.926
Base-Backbone interact. energy: -0.706
local terms energy: -143.678593
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -37.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -453.278939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.278939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.278939 (E_RNA)
where:
Base-Base interactions energy: -316.997
where: short stacking energy: -136.601
Base-Backbone interact. energy: -0.784
local terms energy: -135.498342
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -37.535
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: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -431.525978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.525978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.525978 (E_RNA)
where:
Base-Base interactions energy: -295.156
where: short stacking energy: -136.229
Base-Backbone interact. energy: -0.028
local terms energy: -136.341684
where:
bonds (distance) C4'-P energy: -28.438
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -39.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -419.772166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.772166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.772166 (E_RNA)
where:
Base-Base interactions energy: -287.821
where: short stacking energy: -127.619
Base-Backbone interact. energy: -0.400
local terms energy: -131.550900
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -34.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -338.708836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.708836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.708836 (E_RNA)
where:
Base-Base interactions energy: -220.912
where: short stacking energy: -112.090
Base-Backbone interact. energy: -0.368
local terms energy: -117.429323
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -28.015
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: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -368.679937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.679937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.679937 (E_RNA)
where:
Base-Base interactions energy: -252.526
where: short stacking energy: -106.382
Base-Backbone interact. energy: -0.097
local terms energy: -116.056621
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -322.471881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.471881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.471881 (E_RNA)
where:
Base-Base interactions energy: -213.576
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.345
local terms energy: -108.551016
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -260.253257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.253257 (E_RNA)
where:
Base-Base interactions energy: -164.599
where: short stacking energy: -84.423
Base-Backbone interact. energy: 0.454
local terms energy: -96.107999
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -26.936
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -230.472333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.472333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.472333 (E_RNA)
where:
Base-Base interactions energy: -149.158
where: short stacking energy: -78.081
Base-Backbone interact. energy: 0.779
local terms energy: -82.092855
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -449.601749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.601749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.601749 (E_RNA)
where:
Base-Base interactions energy: -305.453
where: short stacking energy: -138.932
Base-Backbone interact. energy: -1.517
local terms energy: -142.632109
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -35.443
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: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -475.469789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.469789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.469789 (E_RNA)
where:
Base-Base interactions energy: -336.815
where: short stacking energy: -150.699
Base-Backbone interact. energy: 0.143
local terms energy: -138.798360
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -36.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -446.490971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.490971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.490971 (E_RNA)
where:
Base-Base interactions energy: -311.610
where: short stacking energy: -130.419
Base-Backbone interact. energy: -1.335
local terms energy: -133.545941
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -423.548877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.548877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.548877 (E_RNA)
where:
Base-Base interactions energy: -294.022
where: short stacking energy: -131.056
Base-Backbone interact. energy: -0.997
local terms energy: -128.530620
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -402.451100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.451100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.451100 (E_RNA)
where:
Base-Base interactions energy: -281.778
where: short stacking energy: -116.807
Base-Backbone interact. energy: -0.171
local terms energy: -120.502051
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -30.146
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: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -385.403156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.403156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.403156 (E_RNA)
where:
Base-Base interactions energy: -261.718
where: short stacking energy: -119.477
Base-Backbone interact. energy: -0.844
local terms energy: -122.841656
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -29.248
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -31.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -323.937302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.937302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.937302 (E_RNA)
where:
Base-Base interactions energy: -222.256
where: short stacking energy: -113.484
Base-Backbone interact. energy: -0.233
local terms energy: -101.448891
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -29.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -279.069462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.069462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.069462 (E_RNA)
where:
Base-Base interactions energy: -178.879
where: short stacking energy: -95.358
Base-Backbone interact. energy: 2.220
local terms energy: -102.410814
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -20.878
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: 123
Temperature: 1.300000
Total energy: -267.630058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.630058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.630058 (E_RNA)
where:
Base-Base interactions energy: -168.207
where: short stacking energy: -86.168
Base-Backbone interact. energy: -0.717
local terms energy: -98.706455
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -249.700527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.700527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.700527 (E_RNA)
where:
Base-Base interactions energy: -156.987
where: short stacking energy: -86.230
Base-Backbone interact. energy: 0.318
local terms energy: -93.031962
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -478.886684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.886684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.886684 (E_RNA)
where:
Base-Base interactions energy: -340.730
where: short stacking energy: -149.569
Base-Backbone interact. energy: -1.092
local terms energy: -137.064733
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -38.147
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: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -446.553680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.553680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.553680 (E_RNA)
where:
Base-Base interactions energy: -307.225
where: short stacking energy: -145.041
Base-Backbone interact. energy: -1.570
local terms energy: -137.758238
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -34.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -460.745758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.745758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.745758 (E_RNA)
where:
Base-Base interactions energy: -331.592
where: short stacking energy: -139.967
Base-Backbone interact. energy: -2.315
local terms energy: -126.838056
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -38.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -429.110640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.110640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.110640 (E_RNA)
where:
Base-Base interactions energy: -296.407
where: short stacking energy: -130.271
Base-Backbone interact. energy: -0.387
local terms energy: -132.316022
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -33.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -395.219476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.219476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.219476 (E_RNA)
where:
Base-Base interactions energy: -275.095
where: short stacking energy: -131.836
Base-Backbone interact. energy: -0.396
local terms energy: -119.728372
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -36.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -388.141170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.141170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.141170 (E_RNA)
where:
Base-Base interactions energy: -274.027
where: short stacking energy: -125.782
Base-Backbone interact. energy: 0.157
local terms energy: -114.271227
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -328.777287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.777287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.777287 (E_RNA)
where:
Base-Base interactions energy: -217.843
where: short stacking energy: -108.508
Base-Backbone interact. energy: 0.510
local terms energy: -111.443661
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -13.397
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: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -281.638805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.638805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.638805 (E_RNA)
where:
Base-Base interactions energy: -186.704
where: short stacking energy: -82.746
Base-Backbone interact. energy: 0.485
local terms energy: -95.419971
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -10.349
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: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -252.254565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.254565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.254565 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -84.993
Base-Backbone interact. energy: -0.692
local terms energy: -95.864068
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -202.695181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.695181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.695181 (E_RNA)
where:
Base-Base interactions energy: -102.836
where: short stacking energy: -60.410
Base-Backbone interact. energy: -0.249
local terms energy: -99.610731
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -31.236
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -14.940
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: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -477.949149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.949149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.949149 (E_RNA)
where:
Base-Base interactions energy: -336.252
where: short stacking energy: -147.155
Base-Backbone interact. energy: -0.693
local terms energy: -141.004807
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -39.397
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: 125
Temperature: 0.950000
Total energy: -481.381067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.381067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.381067 (E_RNA)
where:
Base-Base interactions energy: -336.822
where: short stacking energy: -148.634
Base-Backbone interact. energy: -0.638
local terms energy: -143.920976
where:
bonds (distance) C4'-P energy: -27.899
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -38.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -450.225474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.225474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.225474 (E_RNA)
where:
Base-Base interactions energy: -309.842
where: short stacking energy: -131.408
Base-Backbone interact. energy: 0.238
local terms energy: -140.622257
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -30.096
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -32.881
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: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -426.576747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.576747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.576747 (E_RNA)
where:
Base-Base interactions energy: -292.786
where: short stacking energy: -121.724
Base-Backbone interact. energy: -0.453
local terms energy: -133.338162
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -446.759172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.759172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.759172 (E_RNA)
where:
Base-Base interactions energy: -309.212
where: short stacking energy: -149.975
Base-Backbone interact. energy: -0.659
local terms energy: -136.888099
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -38.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -376.436775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.436775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.436775 (E_RNA)
where:
Base-Base interactions energy: -261.493
where: short stacking energy: -101.799
Base-Backbone interact. energy: -0.515
local terms energy: -114.429302
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -24.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -313.394973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.394973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.394973 (E_RNA)
where:
Base-Base interactions energy: -200.315
where: short stacking energy: -107.163
Base-Backbone interact. energy: -0.064
local terms energy: -113.016018
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -279.551204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.551204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.551204 (E_RNA)
where:
Base-Base interactions energy: -169.666
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.414
local terms energy: -109.471200
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -19.943
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: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -247.470940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.470940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.470940 (E_RNA)
where:
Base-Base interactions energy: -158.798
where: short stacking energy: -85.033
Base-Backbone interact. energy: -0.778
local terms energy: -87.895794
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -14.512
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: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -202.245607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.245607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.245607 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -70.110
Base-Backbone interact. energy: -0.525
local terms energy: -87.849430
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -9.516
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: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -485.876720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.876720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.876720 (E_RNA)
where:
Base-Base interactions energy: -345.923
where: short stacking energy: -149.961
Base-Backbone interact. energy: -1.045
local terms energy: -138.908783
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -37.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -472.683347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.683347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.683347 (E_RNA)
where:
Base-Base interactions energy: -330.994
where: short stacking energy: -141.977
Base-Backbone interact. energy: -1.219
local terms energy: -140.470267
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -427.908849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.908849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.908849 (E_RNA)
where:
Base-Base interactions energy: -295.053
where: short stacking energy: -139.113
Base-Backbone interact. energy: -0.063
local terms energy: -132.793028
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -36.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -440.740268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.740268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.740268 (E_RNA)
where:
Base-Base interactions energy: -314.866
where: short stacking energy: -131.065
Base-Backbone interact. energy: 0.195
local terms energy: -126.069128
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -30.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -424.918876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.918876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.918876 (E_RNA)
where:
Base-Base interactions energy: -298.276
where: short stacking energy: -128.151
Base-Backbone interact. energy: -1.074
local terms energy: -125.569456
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -31.706
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: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -399.371131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.371131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.371131 (E_RNA)
where:
Base-Base interactions energy: -278.155
where: short stacking energy: -129.966
Base-Backbone interact. energy: -2.084
local terms energy: -119.132385
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -328.193185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.193185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.193185 (E_RNA)
where:
Base-Base interactions energy: -212.462
where: short stacking energy: -99.856
Base-Backbone interact. energy: -0.525
local terms energy: -115.205411
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -20.553
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: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -300.878954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.878954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.878954 (E_RNA)
where:
Base-Base interactions energy: -202.102
where: short stacking energy: -96.641
Base-Backbone interact. energy: 0.087
local terms energy: -98.863303
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -205.901815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.901815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.901815 (E_RNA)
where:
Base-Base interactions energy: -110.151
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.265
local terms energy: -95.485882
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -234.092808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.092808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.092808 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -82.358
Base-Backbone interact. energy: 1.432
local terms energy: -94.057881
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -12.024
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: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -483.188236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.188236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.188236 (E_RNA)
where:
Base-Base interactions energy: -344.279
where: short stacking energy: -154.478
Base-Backbone interact. energy: -1.844
local terms energy: -137.065472
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -40.595
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: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -475.739860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.739860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.739860 (E_RNA)
where:
Base-Base interactions energy: -334.232
where: short stacking energy: -156.269
Base-Backbone interact. energy: -0.922
local terms energy: -140.585819
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -42.247
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: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -441.391010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.391010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.391010 (E_RNA)
where:
Base-Base interactions energy: -303.774
where: short stacking energy: -139.010
Base-Backbone interact. energy: -1.990
local terms energy: -135.626480
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -34.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -425.927918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.927918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.927918 (E_RNA)
where:
Base-Base interactions energy: -300.419
where: short stacking energy: -129.357
Base-Backbone interact. energy: -1.354
local terms energy: -124.155026
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -30.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -428.803674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.803674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.803674 (E_RNA)
where:
Base-Base interactions energy: -304.846
where: short stacking energy: -114.138
Base-Backbone interact. energy: -1.949
local terms energy: -122.009234
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -24.524
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -30.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -377.214630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.214630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.214630 (E_RNA)
where:
Base-Base interactions energy: -255.801
where: short stacking energy: -114.987
Base-Backbone interact. energy: -0.321
local terms energy: -121.092558
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -28.250
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: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -322.380333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.380333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.380333 (E_RNA)
where:
Base-Base interactions energy: -211.758
where: short stacking energy: -104.541
Base-Backbone interact. energy: -0.229
local terms energy: -110.393762
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -281.937953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.937953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.937953 (E_RNA)
where:
Base-Base interactions energy: -196.676
where: short stacking energy: -81.144
Base-Backbone interact. energy: -0.847
local terms energy: -84.414831
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -14.052
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: 127
Temperature: 1.300000
Total energy: -215.721823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.721823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.721823 (E_RNA)
where:
Base-Base interactions energy: -128.185
where: short stacking energy: -78.364
Base-Backbone interact. energy: -0.287
local terms energy: -87.250530
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -245.344958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.344958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.344958 (E_RNA)
where:
Base-Base interactions energy: -154.032
where: short stacking energy: -84.123
Base-Backbone interact. energy: -0.369
local terms energy: -90.943816
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -472.637452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.637452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.637452 (E_RNA)
where:
Base-Base interactions energy: -332.192
where: short stacking energy: -151.837
Base-Backbone interact. energy: -3.165
local terms energy: -137.279998
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -39.657
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -472.476359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.476359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.476359 (E_RNA)
where:
Base-Base interactions energy: -330.639
where: short stacking energy: -151.491
Base-Backbone interact. energy: -0.197
local terms energy: -141.640468
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -42.557
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: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -448.961679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.961679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.961679 (E_RNA)
where:
Base-Base interactions energy: -320.107
where: short stacking energy: -145.030
Base-Backbone interact. energy: -0.455
local terms energy: -128.400253
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -36.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -443.977352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.977352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.977352 (E_RNA)
where:
Base-Base interactions energy: -303.291
where: short stacking energy: -131.537
Base-Backbone interact. energy: -0.757
local terms energy: -139.929331
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -35.089
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: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -426.001379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.001379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.001379 (E_RNA)
where:
Base-Base interactions energy: -286.539
where: short stacking energy: -127.597
Base-Backbone interact. energy: -0.023
local terms energy: -139.438884
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -35.182
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: 128
Temperature: 1.150000
Total energy: -353.488429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.488429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.488429 (E_RNA)
where:
Base-Base interactions energy: -245.542
where: short stacking energy: -108.880
Base-Backbone interact. energy: -0.578
local terms energy: -107.369049
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -268.564993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.564993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.564993 (E_RNA)
where:
Base-Base interactions energy: -171.984
where: short stacking energy: -82.457
Base-Backbone interact. energy: -0.973
local terms energy: -95.608293
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -290.711417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.711417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.711417 (E_RNA)
where:
Base-Base interactions energy: -182.502
where: short stacking energy: -82.811
Base-Backbone interact. energy: -0.012
local terms energy: -108.196991
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -254.882717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.882717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.882717 (E_RNA)
where:
Base-Base interactions energy: -165.066
where: short stacking energy: -88.274
Base-Backbone interact. energy: -0.338
local terms energy: -89.479101
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -12.620
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: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -201.898674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.898674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.898674 (E_RNA)
where:
Base-Base interactions energy: -117.148
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.578
local terms energy: -84.172237
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -1.929
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: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -467.161764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.161764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.161764 (E_RNA)
where:
Base-Base interactions energy: -334.527
where: short stacking energy: -145.090
Base-Backbone interact. energy: 0.178
local terms energy: -132.812677
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -36.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -477.088011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.088011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.088011 (E_RNA)
where:
Base-Base interactions energy: -324.833
where: short stacking energy: -156.755
Base-Backbone interact. energy: -0.740
local terms energy: -151.514604
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -42.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -446.769095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.769095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.769095 (E_RNA)
where:
Base-Base interactions energy: -303.640
where: short stacking energy: -146.279
Base-Backbone interact. energy: 0.342
local terms energy: -143.471380
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -41.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -451.553807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.553807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.553807 (E_RNA)
where:
Base-Base interactions energy: -315.849
where: short stacking energy: -139.048
Base-Backbone interact. energy: -0.399
local terms energy: -135.305517
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -415.484009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.484009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.484009 (E_RNA)
where:
Base-Base interactions energy: -293.457
where: short stacking energy: -137.524
Base-Backbone interact. energy: -0.908
local terms energy: -121.118946
where:
bonds (distance) C4'-P energy: -26.083
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -25.854
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -30.658
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: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -302.086722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.086722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.086722 (E_RNA)
where:
Base-Base interactions energy: -204.174
where: short stacking energy: -90.802
Base-Backbone interact. energy: 3.211
local terms energy: -101.123309
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -18.071
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: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -373.680025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.680025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.680025 (E_RNA)
where:
Base-Base interactions energy: -264.249
where: short stacking energy: -102.305
Base-Backbone interact. energy: -1.738
local terms energy: -107.693488
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -289.665391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.665391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.665391 (E_RNA)
where:
Base-Base interactions energy: -192.065
where: short stacking energy: -96.436
Base-Backbone interact. energy: -0.261
local terms energy: -97.339005
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -244.425942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.425942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.425942 (E_RNA)
where:
Base-Base interactions energy: -149.992
where: short stacking energy: -82.822
Base-Backbone interact. energy: 0.554
local terms energy: -94.988915
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -13.949
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: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -193.065817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.065817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.065817 (E_RNA)
where:
Base-Base interactions energy: -134.584
where: short stacking energy: -76.987
Base-Backbone interact. energy: -0.257
local terms energy: -58.225054
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -2.190
tors. eta vs tors. theta energy: -10.839
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -482.643249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.643249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.643249 (E_RNA)
where:
Base-Base interactions energy: -334.908
where: short stacking energy: -155.556
Base-Backbone interact. energy: -0.388
local terms energy: -147.347112
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -42.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -473.739314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.739314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.739314 (E_RNA)
where:
Base-Base interactions energy: -335.594
where: short stacking energy: -140.244
Base-Backbone interact. energy: 7.084
local terms energy: -145.229403
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -40.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -445.806805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.806805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.806805 (E_RNA)
where:
Base-Base interactions energy: -309.060
where: short stacking energy: -139.735
Base-Backbone interact. energy: 1.655
local terms energy: -138.401949
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -454.591913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.591913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.591913 (E_RNA)
where:
Base-Base interactions energy: -323.094
where: short stacking energy: -149.373
Base-Backbone interact. energy: -0.353
local terms energy: -131.144972
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -42.235
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: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -423.488956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.488956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.488956 (E_RNA)
where:
Base-Base interactions energy: -293.577
where: short stacking energy: -139.787
Base-Backbone interact. energy: -0.752
local terms energy: -129.159408
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -33.690
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: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -327.852116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.852116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.852116 (E_RNA)
where:
Base-Base interactions energy: -219.939
where: short stacking energy: -119.340
Base-Backbone interact. energy: -0.716
local terms energy: -107.196637
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -352.358804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.358804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.358804 (E_RNA)
where:
Base-Base interactions energy: -236.846
where: short stacking energy: -105.592
Base-Backbone interact. energy: -0.112
local terms energy: -115.400184
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -25.319
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -279.625679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.625679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.625679 (E_RNA)
where:
Base-Base interactions energy: -166.098
where: short stacking energy: -81.503
Base-Backbone interact. energy: 0.596
local terms energy: -114.123957
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -12.787
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: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -247.924814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.924814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.924814 (E_RNA)
where:
Base-Base interactions energy: -150.100
where: short stacking energy: -69.796
Base-Backbone interact. energy: 2.853
local terms energy: -100.677302
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -8.365
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: 130
Temperature: 1.350000
Total energy: -199.305300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.305300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.305300 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -59.641
Base-Backbone interact. energy: 0.052
local terms energy: -81.404820
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -10.494
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: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -482.028775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.028775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.028775 (E_RNA)
where:
Base-Base interactions energy: -333.558
where: short stacking energy: -154.015
Base-Backbone interact. energy: -0.576
local terms energy: -147.894564
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -42.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -445.137143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.137143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.137143 (E_RNA)
where:
Base-Base interactions energy: -309.977
where: short stacking energy: -139.359
Base-Backbone interact. energy: 0.734
local terms energy: -135.894380
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -35.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -468.984029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.984029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.984029 (E_RNA)
where:
Base-Base interactions energy: -329.958
where: short stacking energy: -150.286
Base-Backbone interact. energy: -0.931
local terms energy: -138.095384
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -36.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -421.845333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.845333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.845333 (E_RNA)
where:
Base-Base interactions energy: -288.903
where: short stacking energy: -132.142
Base-Backbone interact. energy: -0.384
local terms energy: -132.558887
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -26.548
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -434.890064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.890064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.890064 (E_RNA)
where:
Base-Base interactions energy: -313.582
where: short stacking energy: -133.699
Base-Backbone interact. energy: 3.269
local terms energy: -124.577457
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -378.113295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.113295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.113295 (E_RNA)
where:
Base-Base interactions energy: -244.718
where: short stacking energy: -124.326
Base-Backbone interact. energy: -0.225
local terms energy: -133.169832
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -34.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -328.123862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.123862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.123862 (E_RNA)
where:
Base-Base interactions energy: -217.968
where: short stacking energy: -99.048
Base-Backbone interact. energy: -0.035
local terms energy: -110.121040
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -260.373088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.373088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.373088 (E_RNA)
where:
Base-Base interactions energy: -165.667
where: short stacking energy: -82.847
Base-Backbone interact. energy: 2.220
local terms energy: -96.926797
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -14.442
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: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -277.051845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.051845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.051845 (E_RNA)
where:
Base-Base interactions energy: -178.612
where: short stacking energy: -88.993
Base-Backbone interact. energy: 0.293
local terms energy: -98.732667
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -210.087077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.087077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.087077 (E_RNA)
where:
Base-Base interactions energy: -115.412
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.394
local terms energy: -94.280891
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -8.968
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: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -482.511061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.511061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.511061 (E_RNA)
where:
Base-Base interactions energy: -332.657
where: short stacking energy: -150.570
Base-Backbone interact. energy: -0.191
local terms energy: -149.663368
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -30.798
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -454.592688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.592688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.592688 (E_RNA)
where:
Base-Base interactions energy: -318.041
where: short stacking energy: -145.640
Base-Backbone interact. energy: 0.951
local terms energy: -137.502825
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -33.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -482.711943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.711943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.711943 (E_RNA)
where:
Base-Base interactions energy: -339.695
where: short stacking energy: -147.924
Base-Backbone interact. energy: 1.350
local terms energy: -144.366810
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -42.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -438.393394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.393394 (E_RNA)
where:
Base-Base interactions energy: -310.344
where: short stacking energy: -130.068
Base-Backbone interact. energy: -0.393
local terms energy: -127.656365
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -39.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -444.241916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.241916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.241916 (E_RNA)
where:
Base-Base interactions energy: -305.750
where: short stacking energy: -136.802
Base-Backbone interact. energy: -0.232
local terms energy: -138.260311
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -38.511
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -378.399794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.399794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.399794 (E_RNA)
where:
Base-Base interactions energy: -253.000
where: short stacking energy: -112.577
Base-Backbone interact. energy: -0.183
local terms energy: -125.216677
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -26.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -330.305195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.305195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.305195 (E_RNA)
where:
Base-Base interactions energy: -228.098
where: short stacking energy: -103.146
Base-Backbone interact. energy: -0.022
local terms energy: -102.185444
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -257.354444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.354444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.354444 (E_RNA)
where:
Base-Base interactions energy: -153.795
where: short stacking energy: -83.014
Base-Backbone interact. energy: -0.248
local terms energy: -103.312025
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -267.576116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.576116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.576116 (E_RNA)
where:
Base-Base interactions energy: -179.542
where: short stacking energy: -85.602
Base-Backbone interact. energy: -0.378
local terms energy: -87.655318
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -211.970804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970804 (E_RNA)
where:
Base-Base interactions energy: -122.723
where: short stacking energy: -65.580
Base-Backbone interact. energy: -0.487
local terms energy: -88.760780
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -500.061962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.061962 (E_RNA)
where:
Base-Base interactions energy: -341.549
where: short stacking energy: -157.420
Base-Backbone interact. energy: -0.601
local terms energy: -157.912391
where:
bonds (distance) C4'-P energy: -29.495
bonds (distance) P-C4' energy: -29.491
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -43.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -469.440592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.440592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.440592 (E_RNA)
where:
Base-Base interactions energy: -329.364
where: short stacking energy: -143.104
Base-Backbone interact. energy: -0.057
local terms energy: -140.019350
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -40.863
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: 133
Temperature: 1.000000
Total energy: -451.813078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.813078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.813078 (E_RNA)
where:
Base-Base interactions energy: -318.842
where: short stacking energy: -144.560
Base-Backbone interact. energy: -0.226
local terms energy: -132.744521
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -426.978333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.978333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.978333 (E_RNA)
where:
Base-Base interactions energy: -298.903
where: short stacking energy: -134.698
Base-Backbone interact. energy: -1.040
local terms energy: -127.034958
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -36.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -435.069779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.069779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.069779 (E_RNA)
where:
Base-Base interactions energy: -301.876
where: short stacking energy: -141.477
Base-Backbone interact. energy: -0.017
local terms energy: -133.177240
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -39.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -361.148188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.148188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.148188 (E_RNA)
where:
Base-Base interactions energy: -243.490
where: short stacking energy: -99.057
Base-Backbone interact. energy: -0.517
local terms energy: -117.140540
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -337.699445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.699445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.699445 (E_RNA)
where:
Base-Base interactions energy: -237.331
where: short stacking energy: -107.832
Base-Backbone interact. energy: -0.267
local terms energy: -100.101910
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -276.480038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.480038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.480038 (E_RNA)
where:
Base-Base interactions energy: -174.853
where: short stacking energy: -73.702
Base-Backbone interact. energy: -0.097
local terms energy: -101.530741
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -246.635871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.635871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.635871 (E_RNA)
where:
Base-Base interactions energy: -151.143
where: short stacking energy: -67.319
Base-Backbone interact. energy: -1.323
local terms energy: -94.169988
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -11.597
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: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -215.811301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.811301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.811301 (E_RNA)
where:
Base-Base interactions energy: -132.507
where: short stacking energy: -63.318
Base-Backbone interact. energy: 0.397
local terms energy: -83.700895
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -477.458111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.458111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.458111 (E_RNA)
where:
Base-Base interactions energy: -348.321
where: short stacking energy: -154.948
Base-Backbone interact. energy: -0.602
local terms energy: -128.534814
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -40.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -478.018060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.018060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.018060 (E_RNA)
where:
Base-Base interactions energy: -331.321
where: short stacking energy: -157.111
Base-Backbone interact. energy: 0.069
local terms energy: -146.765898
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -45.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -449.871735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.871735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.871735 (E_RNA)
where:
Base-Base interactions energy: -310.323
where: short stacking energy: -150.598
Base-Backbone interact. energy: -0.500
local terms energy: -139.048498
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -432.493189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.493189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.493189 (E_RNA)
where:
Base-Base interactions energy: -301.447
where: short stacking energy: -132.604
Base-Backbone interact. energy: -0.598
local terms energy: -130.449049
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -445.494041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.494041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.494041 (E_RNA)
where:
Base-Base interactions energy: -309.208
where: short stacking energy: -138.004
Base-Backbone interact. energy: -0.563
local terms energy: -135.723129
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -42.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -356.845784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.845784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.845784 (E_RNA)
where:
Base-Base interactions energy: -242.864
where: short stacking energy: -106.954
Base-Backbone interact. energy: 0.246
local terms energy: -114.227005
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -357.683741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.683741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.683741 (E_RNA)
where:
Base-Base interactions energy: -245.627
where: short stacking energy: -114.860
Base-Backbone interact. energy: -0.810
local terms energy: -111.245866
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -265.033249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.033249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.033249 (E_RNA)
where:
Base-Base interactions energy: -156.961
where: short stacking energy: -86.465
Base-Backbone interact. energy: -1.043
local terms energy: -107.029684
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -7.799
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: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -292.771527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.771527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.771527 (E_RNA)
where:
Base-Base interactions energy: -185.449
where: short stacking energy: -89.776
Base-Backbone interact. energy: -0.282
local terms energy: -107.040524
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -11.870
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: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -223.091861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.091861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.091861 (E_RNA)
where:
Base-Base interactions energy: -133.289
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.992
local terms energy: -88.811349
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -475.760458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.760458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.760458 (E_RNA)
where:
Base-Base interactions energy: -328.743
where: short stacking energy: -136.670
Base-Backbone interact. energy: -0.728
local terms energy: -146.289142
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -39.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -489.615457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.615457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.615457 (E_RNA)
where:
Base-Base interactions energy: -333.254
where: short stacking energy: -160.770
Base-Backbone interact. energy: -0.784
local terms energy: -155.577297
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -44.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -466.120290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.120290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.120290 (E_RNA)
where:
Base-Base interactions energy: -319.287
where: short stacking energy: -156.201
Base-Backbone interact. energy: -0.048
local terms energy: -146.784350
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -39.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -445.034168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.034168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.034168 (E_RNA)
where:
Base-Base interactions energy: -308.674
where: short stacking energy: -132.718
Base-Backbone interact. energy: -0.682
local terms energy: -135.678425
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -28.250
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -39.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -429.654884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.654884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.654884 (E_RNA)
where:
Base-Base interactions energy: -298.457
where: short stacking energy: -124.137
Base-Backbone interact. energy: -0.143
local terms energy: -131.054876
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -32.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -356.447358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.447358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.447358 (E_RNA)
where:
Base-Base interactions energy: -252.549
where: short stacking energy: -110.763
Base-Backbone interact. energy: 0.237
local terms energy: -104.135318
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -346.827191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.827191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.827191 (E_RNA)
where:
Base-Base interactions energy: -236.254
where: short stacking energy: -105.435
Base-Backbone interact. energy: -1.020
local terms energy: -109.553476
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -305.942104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.942104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.942104 (E_RNA)
where:
Base-Base interactions energy: -203.865
where: short stacking energy: -90.357
Base-Backbone interact. energy: -0.596
local terms energy: -101.481010
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -19.750
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: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -263.989724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.989724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.989724 (E_RNA)
where:
Base-Base interactions energy: -159.036
where: short stacking energy: -88.797
Base-Backbone interact. energy: -0.156
local terms energy: -104.798068
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -215.124492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.124492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.124492 (E_RNA)
where:
Base-Base interactions energy: -121.910
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.730
local terms energy: -92.484354
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -10.572
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: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -487.542988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.542988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.542988 (E_RNA)
where:
Base-Base interactions energy: -335.834
where: short stacking energy: -154.653
Base-Backbone interact. energy: -0.001
local terms energy: -151.707896
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -40.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -469.095762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.095762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.095762 (E_RNA)
where:
Base-Base interactions energy: -332.605
where: short stacking energy: -151.822
Base-Backbone interact. energy: -0.543
local terms energy: -135.947961
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -30.124
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -39.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -458.878146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.878146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.878146 (E_RNA)
where:
Base-Base interactions energy: -310.964
where: short stacking energy: -143.297
Base-Backbone interact. energy: -0.562
local terms energy: -147.352120
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -33.036
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -41.842
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: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -432.441239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.441239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.441239 (E_RNA)
where:
Base-Base interactions energy: -298.211
where: short stacking energy: -140.641
Base-Backbone interact. energy: -0.024
local terms energy: -134.206850
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -404.885746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.885746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.885746 (E_RNA)
where:
Base-Base interactions energy: -283.076
where: short stacking energy: -115.964
Base-Backbone interact. energy: -0.920
local terms energy: -120.889242
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -346.641781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.641781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.641781 (E_RNA)
where:
Base-Base interactions energy: -223.926
where: short stacking energy: -116.900
Base-Backbone interact. energy: -0.026
local terms energy: -122.688988
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -28.734
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: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -362.435705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.435705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.435705 (E_RNA)
where:
Base-Base interactions energy: -247.032
where: short stacking energy: -120.384
Base-Backbone interact. energy: -0.707
local terms energy: -114.696203
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -310.535120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.535120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.535120 (E_RNA)
where:
Base-Base interactions energy: -205.567
where: short stacking energy: -100.076
Base-Backbone interact. energy: -2.235
local terms energy: -102.733495
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -211.766560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.766560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.766560 (E_RNA)
where:
Base-Base interactions energy: -127.491
where: short stacking energy: -73.660
Base-Backbone interact. energy: 0.362
local terms energy: -84.637641
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -247.562058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.562058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.562058 (E_RNA)
where:
Base-Base interactions energy: -142.666
where: short stacking energy: -77.047
Base-Backbone interact. energy: 0.469
local terms energy: -105.364751
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -14.241
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: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -482.391345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.391345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.391345 (E_RNA)
where:
Base-Base interactions energy: -331.040
where: short stacking energy: -156.476
Base-Backbone interact. energy: -0.036
local terms energy: -151.315887
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -31.119
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -458.772272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.772272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.772272 (E_RNA)
where:
Base-Base interactions energy: -317.522
where: short stacking energy: -142.636
Base-Backbone interact. energy: -2.007
local terms energy: -139.244094
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -27.119
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -41.756
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: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -454.930551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.930551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.930551 (E_RNA)
where:
Base-Base interactions energy: -311.317
where: short stacking energy: -151.555
Base-Backbone interact. energy: -0.479
local terms energy: -143.134532
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -39.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -440.535656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.535656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.535656 (E_RNA)
where:
Base-Base interactions energy: -305.880
where: short stacking energy: -144.726
Base-Backbone interact. energy: -0.252
local terms energy: -134.403935
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -37.813
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -448.589726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.589726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.589726 (E_RNA)
where:
Base-Base interactions energy: -318.729
where: short stacking energy: -143.050
Base-Backbone interact. energy: 0.056
local terms energy: -129.916251
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -40.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -393.145392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.145392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.145392 (E_RNA)
where:
Base-Base interactions energy: -264.591
where: short stacking energy: -116.293
Base-Backbone interact. energy: -1.121
local terms energy: -127.433330
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -32.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -346.164817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.164817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.164817 (E_RNA)
where:
Base-Base interactions energy: -226.609
where: short stacking energy: -104.159
Base-Backbone interact. energy: -0.832
local terms energy: -118.723987
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -26.270
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -317.429459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.429459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.429459 (E_RNA)
where:
Base-Base interactions energy: -210.951
where: short stacking energy: -98.436
Base-Backbone interact. energy: -0.628
local terms energy: -105.850017
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -226.314417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.314417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.314417 (E_RNA)
where:
Base-Base interactions energy: -122.351
where: short stacking energy: -77.041
Base-Backbone interact. energy: -1.351
local terms energy: -102.613329
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -254.865276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.865276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.865276 (E_RNA)
where:
Base-Base interactions energy: -152.624
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.626
local terms energy: -101.615757
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -16.671
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -482.928371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.928371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.928371 (E_RNA)
where:
Base-Base interactions energy: -334.069
where: short stacking energy: -155.951
Base-Backbone interact. energy: -0.611
local terms energy: -148.249187
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -44.353
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: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -462.472495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.472495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.472495 (E_RNA)
where:
Base-Base interactions energy: -317.968
where: short stacking energy: -143.037
Base-Backbone interact. energy: -0.421
local terms energy: -144.083578
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -459.969435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.969435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.969435 (E_RNA)
where:
Base-Base interactions energy: -328.673
where: short stacking energy: -149.651
Base-Backbone interact. energy: 1.656
local terms energy: -132.952802
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -443.939180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.939180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.939180 (E_RNA)
where:
Base-Base interactions energy: -299.674
where: short stacking energy: -137.984
Base-Backbone interact. energy: -0.843
local terms energy: -143.422369
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -33.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -457.498292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.498292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.498292 (E_RNA)
where:
Base-Base interactions energy: -319.243
where: short stacking energy: -155.843
Base-Backbone interact. energy: -1.524
local terms energy: -136.731182
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -40.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -392.647564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.647564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.647564 (E_RNA)
where:
Base-Base interactions energy: -281.978
where: short stacking energy: -123.658
Base-Backbone interact. energy: 4.173
local terms energy: -114.842333
where:
bonds (distance) C4'-P energy: -23.053
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -27.398
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -28.277
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -324.206147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.206147 (E_RNA)
where:
Base-Base interactions energy: -207.312
where: short stacking energy: -100.798
Base-Backbone interact. energy: -0.131
local terms energy: -116.763201
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -18.763
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: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -340.801176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.801176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.801176 (E_RNA)
where:
Base-Base interactions energy: -224.473
where: short stacking energy: -92.407
Base-Backbone interact. energy: -0.366
local terms energy: -115.961586
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -249.608514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.608514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.608514 (E_RNA)
where:
Base-Base interactions energy: -167.521
where: short stacking energy: -80.987
Base-Backbone interact. energy: 0.732
local terms energy: -82.819429
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -207.408653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.408653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.408653 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -79.997
Base-Backbone interact. energy: -1.305
local terms energy: -85.035625
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -14.573
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: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -487.620519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.620519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.620519 (E_RNA)
where:
Base-Base interactions energy: -340.187
where: short stacking energy: -155.491
Base-Backbone interact. energy: -2.054
local terms energy: -145.379341
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -40.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -454.941737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.941737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.941737 (E_RNA)
where:
Base-Base interactions energy: -305.082
where: short stacking energy: -142.100
Base-Backbone interact. energy: -2.061
local terms energy: -147.798288
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -40.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -461.819784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.819784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.819784 (E_RNA)
where:
Base-Base interactions energy: -319.754
where: short stacking energy: -145.631
Base-Backbone interact. energy: -0.048
local terms energy: -142.017933
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -35.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -443.298392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.298392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.298392 (E_RNA)
where:
Base-Base interactions energy: -312.306
where: short stacking energy: -145.855
Base-Backbone interact. energy: -0.240
local terms energy: -130.752293
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -40.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -435.326869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.326869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.326869 (E_RNA)
where:
Base-Base interactions energy: -298.464
where: short stacking energy: -133.563
Base-Backbone interact. energy: -0.271
local terms energy: -136.591369
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -36.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -392.990280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.990280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.990280 (E_RNA)
where:
Base-Base interactions energy: -271.626
where: short stacking energy: -115.851
Base-Backbone interact. energy: 0.606
local terms energy: -121.970259
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -29.188
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: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -328.258440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.258440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.258440 (E_RNA)
where:
Base-Base interactions energy: -220.202
where: short stacking energy: -107.115
Base-Backbone interact. energy: -1.078
local terms energy: -106.978489
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -324.575296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.575296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.575296 (E_RNA)
where:
Base-Base interactions energy: -212.663
where: short stacking energy: -94.811
Base-Backbone interact. energy: -1.086
local terms energy: -110.826582
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -250.703952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.703952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.703952 (E_RNA)
where:
Base-Base interactions energy: -163.807
where: short stacking energy: -79.476
Base-Backbone interact. energy: -1.107
local terms energy: -85.789961
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -10.585
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: 10, replica: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -193.125309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.125309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.125309 (E_RNA)
where:
Base-Base interactions energy: -108.011
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.722
local terms energy: -84.392489
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -6.461
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: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -473.517882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.517882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.517882 (E_RNA)
where:
Base-Base interactions energy: -328.306
where: short stacking energy: -151.274
Base-Backbone interact. energy: 0.079
local terms energy: -145.290755
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -42.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -452.785351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.785351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.785351 (E_RNA)
where:
Base-Base interactions energy: -313.856
where: short stacking energy: -145.438
Base-Backbone interact. energy: -0.325
local terms energy: -138.604428
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -465.068209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.068209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.068209 (E_RNA)
where:
Base-Base interactions energy: -326.125
where: short stacking energy: -150.600
Base-Backbone interact. energy: 0.211
local terms energy: -139.153651
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -39.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -455.659147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.659147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.659147 (E_RNA)
where:
Base-Base interactions energy: -323.619
where: short stacking energy: -146.414
Base-Backbone interact. energy: 2.836
local terms energy: -134.876028
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -42.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -436.807227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.807227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.807227 (E_RNA)
where:
Base-Base interactions energy: -308.776
where: short stacking energy: -136.475
Base-Backbone interact. energy: -1.029
local terms energy: -127.001933
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -34.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -350.768631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.768631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.768631 (E_RNA)
where:
Base-Base interactions energy: -230.084
where: short stacking energy: -109.614
Base-Backbone interact. energy: -0.148
local terms energy: -120.536872
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -18.965
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: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -328.926617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.926617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.926617 (E_RNA)
where:
Base-Base interactions energy: -217.269
where: short stacking energy: -108.296
Base-Backbone interact. energy: -0.679
local terms energy: -110.978291
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -277.968600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.968600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.968600 (E_RNA)
where:
Base-Base interactions energy: -186.147
where: short stacking energy: -84.980
Base-Backbone interact. energy: -0.132
local terms energy: -91.689902
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -15.408
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: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -247.633215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.633215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.633215 (E_RNA)
where:
Base-Base interactions energy: -148.798
where: short stacking energy: -80.254
Base-Backbone interact. energy: 0.073
local terms energy: -98.908823
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -201.453386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.453386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.453386 (E_RNA)
where:
Base-Base interactions energy: -110.904
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.258
local terms energy: -90.291551
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -25.671
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -8.033
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: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -480.974885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.974885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.974885 (E_RNA)
where:
Base-Base interactions energy: -332.172
where: short stacking energy: -155.167
Base-Backbone interact. energy: -0.379
local terms energy: -148.424659
where:
bonds (distance) C4'-P energy: -32.821
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -43.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -464.450906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.450906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.450906 (E_RNA)
where:
Base-Base interactions energy: -324.800
where: short stacking energy: -145.637
Base-Backbone interact. energy: -1.018
local terms energy: -138.632974
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -37.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -452.811457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.811457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.811457 (E_RNA)
where:
Base-Base interactions energy: -308.584
where: short stacking energy: -156.276
Base-Backbone interact. energy: -0.586
local terms energy: -143.641960
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -44.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -461.107251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.107251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.107251 (E_RNA)
where:
Base-Base interactions energy: -324.794
where: short stacking energy: -143.901
Base-Backbone interact. energy: -0.766
local terms energy: -135.547395
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -39.681
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: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -427.119991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.119991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.119991 (E_RNA)
where:
Base-Base interactions energy: -292.865
where: short stacking energy: -125.984
Base-Backbone interact. energy: -0.102
local terms energy: -134.152951
where:
bonds (distance) C4'-P energy: -26.644
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -30.691
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: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -387.302015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.302015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.302015 (E_RNA)
where:
Base-Base interactions energy: -277.913
where: short stacking energy: -114.930
Base-Backbone interact. energy: -1.060
local terms energy: -108.328815
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -24.706
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: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -367.436876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.436876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.436876 (E_RNA)
where:
Base-Base interactions energy: -243.187
where: short stacking energy: -128.266
Base-Backbone interact. energy: -0.010
local terms energy: -124.240571
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -34.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -272.380859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.380859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.380859 (E_RNA)
where:
Base-Base interactions energy: -167.551
where: short stacking energy: -75.406
Base-Backbone interact. energy: -0.166
local terms energy: -104.663842
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -257.199153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.199153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.199153 (E_RNA)
where:
Base-Base interactions energy: -159.147
where: short stacking energy: -83.104
Base-Backbone interact. energy: 0.236
local terms energy: -98.288293
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -201.692552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.692552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.692552 (E_RNA)
where:
Base-Base interactions energy: -112.651
where: short stacking energy: -60.861
Base-Backbone interact. energy: -0.738
local terms energy: -88.302865
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -12.488
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: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -495.385715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.385715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.385715 (E_RNA)
where:
Base-Base interactions energy: -339.282
where: short stacking energy: -167.707
Base-Backbone interact. energy: -0.551
local terms energy: -155.552234
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -44.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -459.176266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.176266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.176266 (E_RNA)
where:
Base-Base interactions energy: -322.165
where: short stacking energy: -148.821
Base-Backbone interact. energy: -1.154
local terms energy: -135.856956
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -35.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -461.833207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.833207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.833207 (E_RNA)
where:
Base-Base interactions energy: -320.419
where: short stacking energy: -138.919
Base-Backbone interact. energy: -0.212
local terms energy: -141.202255
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -40.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -442.589679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.589679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.589679 (E_RNA)
where:
Base-Base interactions energy: -299.932
where: short stacking energy: -152.115
Base-Backbone interact. energy: -0.280
local terms energy: -142.377884
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -45.061
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -432.944386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.944386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.944386 (E_RNA)
where:
Base-Base interactions energy: -308.543
where: short stacking energy: -143.543
Base-Backbone interact. energy: -0.018
local terms energy: -124.383462
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -35.812
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: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -384.502163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.502163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.502163 (E_RNA)
where:
Base-Base interactions energy: -264.689
where: short stacking energy: -129.781
Base-Backbone interact. energy: 1.586
local terms energy: -121.398964
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -31.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -331.077628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.077628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.077628 (E_RNA)
where:
Base-Base interactions energy: -217.935
where: short stacking energy: -109.838
Base-Backbone interact. energy: -0.062
local terms energy: -113.080278
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -26.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -267.415519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.415519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.415519 (E_RNA)
where:
Base-Base interactions energy: -176.351
where: short stacking energy: -78.032
Base-Backbone interact. energy: -0.260
local terms energy: -90.805102
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -12.267
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: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -272.715964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.715964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.715964 (E_RNA)
where:
Base-Base interactions energy: -163.150
where: short stacking energy: -84.913
Base-Backbone interact. energy: -1.162
local terms energy: -108.404043
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -202.286412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.286412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.286412 (E_RNA)
where:
Base-Base interactions energy: -108.217
where: short stacking energy: -62.474
Base-Backbone interact. energy: 0.594
local terms energy: -94.662987
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -13.795
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: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -488.933093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.933093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.933093 (E_RNA)
where:
Base-Base interactions energy: -352.520
where: short stacking energy: -156.126
Base-Backbone interact. energy: -1.421
local terms energy: -134.992410
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -468.155407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.155407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.155407 (E_RNA)
where:
Base-Base interactions energy: -325.241
where: short stacking energy: -142.282
Base-Backbone interact. energy: -1.132
local terms energy: -141.782822
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -37.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -457.008439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.008439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.008439 (E_RNA)
where:
Base-Base interactions energy: -308.892
where: short stacking energy: -142.893
Base-Backbone interact. energy: -1.586
local terms energy: -146.529953
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -437.819540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.819540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.819540 (E_RNA)
where:
Base-Base interactions energy: -305.678
where: short stacking energy: -135.069
Base-Backbone interact. energy: 1.203
local terms energy: -133.344820
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -35.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -428.128479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.128479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.128479 (E_RNA)
where:
Base-Base interactions energy: -280.568
where: short stacking energy: -134.705
Base-Backbone interact. energy: -0.157
local terms energy: -147.403401
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -35.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -333.179846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.179846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.179846 (E_RNA)
where:
Base-Base interactions energy: -212.928
where: short stacking energy: -99.525
Base-Backbone interact. energy: 0.364
local terms energy: -120.615726
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -365.325871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.325871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.325871 (E_RNA)
where:
Base-Base interactions energy: -251.209
where: short stacking energy: -112.438
Base-Backbone interact. energy: 2.754
local terms energy: -116.870940
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -28.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -301.017650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.017650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.017650 (E_RNA)
where:
Base-Base interactions energy: -182.627
where: short stacking energy: -94.319
Base-Backbone interact. energy: -0.145
local terms energy: -118.246565
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -23.517
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: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -239.525861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525861 (E_RNA)
where:
Base-Base interactions energy: -138.957
where: short stacking energy: -64.488
Base-Backbone interact. energy: 0.709
local terms energy: -101.277358
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -184.715141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.715141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.715141 (E_RNA)
where:
Base-Base interactions energy: -97.546
where: short stacking energy: -57.745
Base-Backbone interact. energy: 1.245
local terms energy: -88.414652
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -16.098
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: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -483.266332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.266332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.266332 (E_RNA)
where:
Base-Base interactions energy: -335.123
where: short stacking energy: -138.924
Base-Backbone interact. energy: -0.131
local terms energy: -148.012051
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -39.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -482.495233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.495233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.495233 (E_RNA)
where:
Base-Base interactions energy: -333.724
where: short stacking energy: -157.583
Base-Backbone interact. energy: -0.294
local terms energy: -148.476965
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -41.236
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: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -465.724230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.724230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.724230 (E_RNA)
where:
Base-Base interactions energy: -330.252
where: short stacking energy: -134.709
Base-Backbone interact. energy: -1.049
local terms energy: -134.423615
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -37.859
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: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -433.133123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.133123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.133123 (E_RNA)
where:
Base-Base interactions energy: -302.331
where: short stacking energy: -132.158
Base-Backbone interact. energy: -0.457
local terms energy: -130.345624
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -31.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -431.707511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.707511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.707511 (E_RNA)
where:
Base-Base interactions energy: -304.743
where: short stacking energy: -147.441
Base-Backbone interact. energy: 1.377
local terms energy: -128.341858
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -41.538
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: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -345.493664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.493664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.493664 (E_RNA)
where:
Base-Base interactions energy: -221.912
where: short stacking energy: -117.571
Base-Backbone interact. energy: -0.227
local terms energy: -123.354741
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -25.986
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: 144
Temperature: 1.200000
Total energy: -359.146826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.146826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.146826 (E_RNA)
where:
Base-Base interactions energy: -250.194
where: short stacking energy: -108.662
Base-Backbone interact. energy: 0.679
local terms energy: -109.631874
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -27.142
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -264.652605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.652605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.652605 (E_RNA)
where:
Base-Base interactions energy: -155.284
where: short stacking energy: -80.596
Base-Backbone interact. energy: -0.109
local terms energy: -109.259750
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -13.812
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -196.718804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718804 (E_RNA)
where:
Base-Base interactions energy: -118.053
where: short stacking energy: -67.427
Base-Backbone interact. energy: 0.689
local terms energy: -79.354554
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -5.282
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: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -234.698897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.698897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.698897 (E_RNA)
where:
Base-Base interactions energy: -142.814
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.237
local terms energy: -91.648422
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -473.038792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.038792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.038792 (E_RNA)
where:
Base-Base interactions energy: -338.184
where: short stacking energy: -147.977
Base-Backbone interact. energy: -0.757
local terms energy: -134.098197
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -38.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -489.856322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.856322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.856322 (E_RNA)
where:
Base-Base interactions energy: -338.923
where: short stacking energy: -164.309
Base-Backbone interact. energy: -0.210
local terms energy: -150.723263
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -474.017362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.017362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.017362 (E_RNA)
where:
Base-Base interactions energy: -332.356
where: short stacking energy: -141.481
Base-Backbone interact. energy: -0.181
local terms energy: -141.480529
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -41.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -424.640475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.640475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.640475 (E_RNA)
where:
Base-Base interactions energy: -292.495
where: short stacking energy: -136.941
Base-Backbone interact. energy: -0.341
local terms energy: -131.803939
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -431.632753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.632753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.632753 (E_RNA)
where:
Base-Base interactions energy: -311.784
where: short stacking energy: -140.304
Base-Backbone interact. energy: -0.805
local terms energy: -119.044238
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -33.614
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: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -363.173378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.173378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.173378 (E_RNA)
where:
Base-Base interactions energy: -250.705
where: short stacking energy: -116.890
Base-Backbone interact. energy: -1.470
local terms energy: -110.997574
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -328.608694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.608694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.608694 (E_RNA)
where:
Base-Base interactions energy: -209.543
where: short stacking energy: -102.394
Base-Backbone interact. energy: 0.001
local terms energy: -119.066918
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -273.817385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.817385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.817385 (E_RNA)
where:
Base-Base interactions energy: -186.874
where: short stacking energy: -95.718
Base-Backbone interact. energy: 0.118
local terms energy: -87.060628
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -15.129
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: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -210.668981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.668981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.668981 (E_RNA)
where:
Base-Base interactions energy: -121.134
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.647
local terms energy: -88.888578
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -2.362
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: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -233.980683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.980683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.980683 (E_RNA)
where:
Base-Base interactions energy: -149.067
where: short stacking energy: -65.402
Base-Backbone interact. energy: 0.594
local terms energy: -85.507273
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -482.412701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.412701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.412701 (E_RNA)
where:
Base-Base interactions energy: -327.716
where: short stacking energy: -155.312
Base-Backbone interact. energy: 0.673
local terms energy: -155.370152
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -27.383
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -44.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -457.499986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.499986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.499986 (E_RNA)
where:
Base-Base interactions energy: -323.681
where: short stacking energy: -132.401
Base-Backbone interact. energy: -0.668
local terms energy: -133.150775
where:
bonds (distance) C4'-P energy: -28.928
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -36.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -476.564695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.564695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.564695 (E_RNA)
where:
Base-Base interactions energy: -337.374
where: short stacking energy: -148.320
Base-Backbone interact. energy: 0.703
local terms energy: -139.893439
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -40.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -434.348831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.348831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.348831 (E_RNA)
where:
Base-Base interactions energy: -306.122
where: short stacking energy: -138.414
Base-Backbone interact. energy: -0.356
local terms energy: -127.870790
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -445.294493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.294493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.294493 (E_RNA)
where:
Base-Base interactions energy: -315.931
where: short stacking energy: -137.210
Base-Backbone interact. energy: 0.189
local terms energy: -129.552025
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -40.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -362.451144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.451144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.451144 (E_RNA)
where:
Base-Base interactions energy: -254.658
where: short stacking energy: -121.089
Base-Backbone interact. energy: -0.273
local terms energy: -107.520679
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -325.361239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.361239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.361239 (E_RNA)
where:
Base-Base interactions energy: -220.896
where: short stacking energy: -106.817
Base-Backbone interact. energy: -0.917
local terms energy: -103.548899
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -289.895227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.895227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.895227 (E_RNA)
where:
Base-Base interactions energy: -180.847
where: short stacking energy: -93.201
Base-Backbone interact. energy: 1.026
local terms energy: -110.074815
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -236.871242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.871242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.871242 (E_RNA)
where:
Base-Base interactions energy: -141.545
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.423
local terms energy: -94.903256
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -177.977244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.977244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.977244 (E_RNA)
where:
Base-Base interactions energy: -100.561
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.565
local terms energy: -76.851575
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -482.528650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.528650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.528650 (E_RNA)
where:
Base-Base interactions energy: -330.707
where: short stacking energy: -156.811
Base-Backbone interact. energy: -0.758
local terms energy: -151.063410
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -490.794744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.794744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.794744 (E_RNA)
where:
Base-Base interactions energy: -344.908
where: short stacking energy: -149.365
Base-Backbone interact. energy: -0.091
local terms energy: -145.795245
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -40.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -450.551220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.551220 (E_RNA)
where:
Base-Base interactions energy: -308.290
where: short stacking energy: -143.198
Base-Backbone interact. energy: -2.060
local terms energy: -140.201159
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -35.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -437.811299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.811299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.811299 (E_RNA)
where:
Base-Base interactions energy: -298.712
where: short stacking energy: -128.830
Base-Backbone interact. energy: 0.152
local terms energy: -139.251662
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -35.109
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: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -426.616822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.616822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.616822 (E_RNA)
where:
Base-Base interactions energy: -303.021
where: short stacking energy: -125.154
Base-Backbone interact. energy: -0.914
local terms energy: -122.681452
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -35.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -340.963608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.963608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.963608 (E_RNA)
where:
Base-Base interactions energy: -220.061
where: short stacking energy: -116.171
Base-Backbone interact. energy: -0.369
local terms energy: -120.532730
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -26.391
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -31.278
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: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -346.998541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.998541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.998541 (E_RNA)
where:
Base-Base interactions energy: -237.022
where: short stacking energy: -107.054
Base-Backbone interact. energy: -0.864
local terms energy: -109.112236
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -288.427185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.427185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.427185 (E_RNA)
where:
Base-Base interactions energy: -186.138
where: short stacking energy: -83.137
Base-Backbone interact. energy: -1.884
local terms energy: -100.405681
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -14.715
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: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -262.661737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.661737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.661737 (E_RNA)
where:
Base-Base interactions energy: -158.604
where: short stacking energy: -82.333
Base-Backbone interact. energy: 1.634
local terms energy: -105.692262
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -138.020084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.020084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.020084 (E_RNA)
where:
Base-Base interactions energy: -58.554
where: short stacking energy: -49.868
Base-Backbone interact. energy: -1.234
local terms energy: -78.232678
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: 4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -485.084763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.084763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.084763 (E_RNA)
where:
Base-Base interactions energy: -343.482
where: short stacking energy: -158.352
Base-Backbone interact. energy: 1.252
local terms energy: -142.854225
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -482.327122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.327122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.327122 (E_RNA)
where:
Base-Base interactions energy: -329.531
where: short stacking energy: -158.938
Base-Backbone interact. energy: -0.284
local terms energy: -152.511620
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -44.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -464.413433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.413433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.413433 (E_RNA)
where:
Base-Base interactions energy: -327.958
where: short stacking energy: -137.437
Base-Backbone interact. energy: -0.608
local terms energy: -135.847541
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -424.965370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.965370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.965370 (E_RNA)
where:
Base-Base interactions energy: -300.582
where: short stacking energy: -139.281
Base-Backbone interact. energy: -0.852
local terms energy: -123.531848
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -434.657340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.657340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.657340 (E_RNA)
where:
Base-Base interactions energy: -306.420
where: short stacking energy: -142.866
Base-Backbone interact. energy: -0.518
local terms energy: -127.719139
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -34.282
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: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -347.990916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.990916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.990916 (E_RNA)
where:
Base-Base interactions energy: -223.136
where: short stacking energy: -115.534
Base-Backbone interact. energy: 0.754
local terms energy: -125.608742
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -33.905
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: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -346.822423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.822423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.822423 (E_RNA)
where:
Base-Base interactions energy: -230.920
where: short stacking energy: -101.599
Base-Backbone interact. energy: -0.682
local terms energy: -115.221250
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -331.280568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.280568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.280568 (E_RNA)
where:
Base-Base interactions energy: -208.312
where: short stacking energy: -114.087
Base-Backbone interact. energy: -0.333
local terms energy: -122.636414
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -285.431752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.431752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.431752 (E_RNA)
where:
Base-Base interactions energy: -192.028
where: short stacking energy: -86.446
Base-Backbone interact. energy: -0.441
local terms energy: -92.962850
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -17.546
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: 148
Temperature: 1.350000
Total energy: -150.900573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.900573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.900573 (E_RNA)
where:
Base-Base interactions energy: -83.573
where: short stacking energy: -51.831
Base-Backbone interact. energy: -1.024
local terms energy: -66.303027
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: 3.163
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: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -482.581663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.581663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.581663 (E_RNA)
where:
Base-Base interactions energy: -336.381
where: short stacking energy: -150.717
Base-Backbone interact. energy: 0.348
local terms energy: -146.548885
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -33.430
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -41.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -465.932162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.932162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.932162 (E_RNA)
where:
Base-Base interactions energy: -328.200
where: short stacking energy: -147.233
Base-Backbone interact. energy: -1.000
local terms energy: -136.731697
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -35.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -473.088800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.088800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.088800 (E_RNA)
where:
Base-Base interactions energy: -325.839
where: short stacking energy: -162.170
Base-Backbone interact. energy: -0.405
local terms energy: -146.844671
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -44.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -451.267100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.267100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.267100 (E_RNA)
where:
Base-Base interactions energy: -315.594
where: short stacking energy: -144.328
Base-Backbone interact. energy: -0.869
local terms energy: -134.803832
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -424.102718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.102718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.102718 (E_RNA)
where:
Base-Base interactions energy: -288.727
where: short stacking energy: -126.714
Base-Backbone interact. energy: -0.328
local terms energy: -135.047129
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -35.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -401.669245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.669245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.669245 (E_RNA)
where:
Base-Base interactions energy: -268.721
where: short stacking energy: -117.616
Base-Backbone interact. energy: -0.086
local terms energy: -132.861978
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -32.835
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -30.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -335.835365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.835365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.835365 (E_RNA)
where:
Base-Base interactions energy: -218.271
where: short stacking energy: -112.072
Base-Backbone interact. energy: -0.692
local terms energy: -116.872945
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -22.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -325.205718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.205718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.205718 (E_RNA)
where:
Base-Base interactions energy: -204.676
where: short stacking energy: -103.664
Base-Backbone interact. energy: -0.310
local terms energy: -120.220606
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -296.857532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.857532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.857532 (E_RNA)
where:
Base-Base interactions energy: -203.898
where: short stacking energy: -96.977
Base-Backbone interact. energy: -0.104
local terms energy: -92.855579
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -131.660826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.660826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.660826 (E_RNA)
where:
Base-Base interactions energy: -46.459
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.197
local terms energy: -85.004068
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -493.864101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.864101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.864101 (E_RNA)
where:
Base-Base interactions energy: -349.131
where: short stacking energy: -155.839
Base-Backbone interact. energy: -0.657
local terms energy: -144.076190
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -27.398
flat angles C4'-P-C4' energy: -25.598
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -39.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -468.983891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.983891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.983891 (E_RNA)
where:
Base-Base interactions energy: -323.136
where: short stacking energy: -142.654
Base-Backbone interact. energy: 1.059
local terms energy: -146.906787
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -454.120190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.120190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.120190 (E_RNA)
where:
Base-Base interactions energy: -318.829
where: short stacking energy: -145.783
Base-Backbone interact. energy: -0.556
local terms energy: -134.734733
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -24.239
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -459.424788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.424788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.424788 (E_RNA)
where:
Base-Base interactions energy: -328.909
where: short stacking energy: -144.086
Base-Backbone interact. energy: -0.441
local terms energy: -130.075454
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -406.417674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.417674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.417674 (E_RNA)
where:
Base-Base interactions energy: -273.270
where: short stacking energy: -115.862
Base-Backbone interact. energy: -2.714
local terms energy: -130.432936
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -413.889362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.889362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.889362 (E_RNA)
where:
Base-Base interactions energy: -295.335
where: short stacking energy: -134.693
Base-Backbone interact. energy: -0.565
local terms energy: -117.989845
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -304.339472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.339472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.339472 (E_RNA)
where:
Base-Base interactions energy: -190.702
where: short stacking energy: -103.564
Base-Backbone interact. energy: -1.083
local terms energy: -112.554642
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -26.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -294.334046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.334046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.334046 (E_RNA)
where:
Base-Base interactions energy: -196.413
where: short stacking energy: -94.558
Base-Backbone interact. energy: 0.679
local terms energy: -98.600866
where:
bonds (distance) C4'-P energy: -24.936
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -307.490418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.490418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.490418 (E_RNA)
where:
Base-Base interactions energy: -194.137
where: short stacking energy: -90.425
Base-Backbone interact. energy: -0.799
local terms energy: -112.554296
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -13.078
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: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -140.218515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.218515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.218515 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -45.387
Base-Backbone interact. energy: -1.049
local terms energy: -92.754476
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -496.073802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.073802 (E_RNA)
where:
Base-Base interactions energy: -358.505
where: short stacking energy: -166.099
Base-Backbone interact. energy: -0.028
local terms energy: -137.540833
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -478.150493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.150493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.150493 (E_RNA)
where:
Base-Base interactions energy: -326.129
where: short stacking energy: -152.917
Base-Backbone interact. energy: -0.401
local terms energy: -151.620075
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -44.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -476.152915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.152915 (E_RNA)
where:
Base-Base interactions energy: -337.757
where: short stacking energy: -147.770
Base-Backbone interact. energy: -0.129
local terms energy: -138.266168
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -37.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -455.372104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.372104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.372104 (E_RNA)
where:
Base-Base interactions energy: -318.905
where: short stacking energy: -147.516
Base-Backbone interact. energy: -0.990
local terms energy: -135.477043
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -40.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -402.391019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.391019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.391019 (E_RNA)
where:
Base-Base interactions energy: -276.478
where: short stacking energy: -124.685
Base-Backbone interact. energy: -1.342
local terms energy: -124.570589
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -28.826
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: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -412.598481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.598481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.598481 (E_RNA)
where:
Base-Base interactions energy: -292.750
where: short stacking energy: -117.630
Base-Backbone interact. energy: 1.249
local terms energy: -121.097162
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -21.481
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -331.203582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.203582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.203582 (E_RNA)
where:
Base-Base interactions energy: -219.458
where: short stacking energy: -103.112
Base-Backbone interact. energy: -0.738
local terms energy: -111.007584
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -24.569
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: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -331.453165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.453165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.453165 (E_RNA)
where:
Base-Base interactions energy: -213.325
where: short stacking energy: -89.219
Base-Backbone interact. energy: -2.340
local terms energy: -115.787232
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -279.942254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.942254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.942254 (E_RNA)
where:
Base-Base interactions energy: -169.885
where: short stacking energy: -85.563
Base-Backbone interact. energy: -0.245
local terms energy: -109.812900
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -163.161354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.161354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.161354 (E_RNA)
where:
Base-Base interactions energy: -66.375
where: short stacking energy: -66.375
Base-Backbone interact. energy: 0.811
local terms energy: -97.598215
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -498.623866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.623866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.623866 (E_RNA)
where:
Base-Base interactions energy: -353.232
where: short stacking energy: -161.006
Base-Backbone interact. energy: -0.752
local terms energy: -144.640019
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -474.614738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.614738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.614738 (E_RNA)
where:
Base-Base interactions energy: -329.990
where: short stacking energy: -161.444
Base-Backbone interact. energy: -0.256
local terms energy: -144.369027
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -44.019
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: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -463.767415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.767415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.767415 (E_RNA)
where:
Base-Base interactions energy: -330.373
where: short stacking energy: -146.699
Base-Backbone interact. energy: -1.214
local terms energy: -132.180473
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -40.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -449.304282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.304282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.304282 (E_RNA)
where:
Base-Base interactions energy: -308.386
where: short stacking energy: -129.276
Base-Backbone interact. energy: -0.532
local terms energy: -140.386389
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -37.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -399.697080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.697080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.697080 (E_RNA)
where:
Base-Base interactions energy: -278.782
where: short stacking energy: -116.444
Base-Backbone interact. energy: -0.455
local terms energy: -120.459311
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -30.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -403.773613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.773613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.773613 (E_RNA)
where:
Base-Base interactions energy: -287.207
where: short stacking energy: -124.702
Base-Backbone interact. energy: -1.230
local terms energy: -115.336946
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -322.599618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.599618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.599618 (E_RNA)
where:
Base-Base interactions energy: -220.510
where: short stacking energy: -108.438
Base-Backbone interact. energy: -1.552
local terms energy: -100.538163
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -303.619096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.619096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.619096 (E_RNA)
where:
Base-Base interactions energy: -191.386
where: short stacking energy: -95.671
Base-Backbone interact. energy: 0.749
local terms energy: -112.982157
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -15.151
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: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -253.771254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.771254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.771254 (E_RNA)
where:
Base-Base interactions energy: -165.130
where: short stacking energy: -73.954
Base-Backbone interact. energy: -0.461
local terms energy: -88.180088
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -158.151926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.151926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.151926 (E_RNA)
where:
Base-Base interactions energy: -79.684
where: short stacking energy: -38.211
Base-Backbone interact. energy: -0.876
local terms energy: -77.592682
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: 5.913
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: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -500.116218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.116218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.116218 (E_RNA)
where:
Base-Base interactions energy: -343.157
where: short stacking energy: -160.632
Base-Backbone interact. energy: -0.022
local terms energy: -156.936840
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -463.414721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.414721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.414721 (E_RNA)
where:
Base-Base interactions energy: -324.727
where: short stacking energy: -153.371
Base-Backbone interact. energy: 1.677
local terms energy: -140.364858
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -458.414340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.414340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.414340 (E_RNA)
where:
Base-Base interactions energy: -324.282
where: short stacking energy: -145.755
Base-Backbone interact. energy: -1.242
local terms energy: -132.889670
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -448.842794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.842794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.842794 (E_RNA)
where:
Base-Base interactions energy: -307.365
where: short stacking energy: -140.943
Base-Backbone interact. energy: 1.157
local terms energy: -142.635071
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -36.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -426.020625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.020625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.020625 (E_RNA)
where:
Base-Base interactions energy: -298.033
where: short stacking energy: -123.252
Base-Backbone interact. energy: -0.285
local terms energy: -127.702447
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -32.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -397.480266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.480266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.480266 (E_RNA)
where:
Base-Base interactions energy: -271.428
where: short stacking energy: -119.478
Base-Backbone interact. energy: -1.710
local terms energy: -124.342570
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -32.619
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -333.218708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.218708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.218708 (E_RNA)
where:
Base-Base interactions energy: -219.642
where: short stacking energy: -93.863
Base-Backbone interact. energy: -0.207
local terms energy: -113.369945
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -25.047
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -265.995079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.995079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.995079 (E_RNA)
where:
Base-Base interactions energy: -170.300
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.527
local terms energy: -95.168874
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -237.479313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.479313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.479313 (E_RNA)
where:
Base-Base interactions energy: -139.349
where: short stacking energy: -86.672
Base-Backbone interact. energy: 1.202
local terms energy: -99.331925
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -207.261823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.261823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261823 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.598
local terms energy: -91.358931
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -466.949572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.949572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.949572 (E_RNA)
where:
Base-Base interactions energy: -329.714
where: short stacking energy: -140.115
Base-Backbone interact. energy: -0.372
local terms energy: -136.863637
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -484.576868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.576868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.576868 (E_RNA)
where:
Base-Base interactions energy: -332.869
where: short stacking energy: -153.248
Base-Backbone interact. energy: -1.323
local terms energy: -150.385059
where:
bonds (distance) C4'-P energy: -31.862
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -41.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -463.273418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.273418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.273418 (E_RNA)
where:
Base-Base interactions energy: -325.006
where: short stacking energy: -150.014
Base-Backbone interact. energy: -0.865
local terms energy: -137.401842
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -42.104
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: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -438.413855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.413855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.413855 (E_RNA)
where:
Base-Base interactions energy: -311.503
where: short stacking energy: -136.459
Base-Backbone interact. energy: -0.199
local terms energy: -126.712142
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -430.168657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.168657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.168657 (E_RNA)
where:
Base-Base interactions energy: -303.604
where: short stacking energy: -137.709
Base-Backbone interact. energy: -0.555
local terms energy: -126.010414
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -386.357840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.357840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.357840 (E_RNA)
where:
Base-Base interactions energy: -255.941
where: short stacking energy: -117.266
Base-Backbone interact. energy: -1.161
local terms energy: -129.256047
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -29.016
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -28.160
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: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -322.534970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.534970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.534970 (E_RNA)
where:
Base-Base interactions energy: -207.151
where: short stacking energy: -100.567
Base-Backbone interact. energy: -0.138
local terms energy: -115.246308
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -22.169
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: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -284.171618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.171618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.171618 (E_RNA)
where:
Base-Base interactions energy: -180.307
where: short stacking energy: -101.032
Base-Backbone interact. energy: -0.668
local terms energy: -103.196245
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -9.015
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: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -241.618615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.618615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.618615 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -73.355
Base-Backbone interact. energy: 0.567
local terms energy: -86.120155
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -222.685045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.685045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.685045 (E_RNA)
where:
Base-Base interactions energy: -136.928
where: short stacking energy: -65.797
Base-Backbone interact. energy: -0.184
local terms energy: -85.572939
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -10.267
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -479.835453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.835453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.835453 (E_RNA)
where:
Base-Base interactions energy: -332.536
where: short stacking energy: -142.780
Base-Backbone interact. energy: -1.784
local terms energy: -145.515261
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -38.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -473.708287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.708287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.708287 (E_RNA)
where:
Base-Base interactions energy: -328.190
where: short stacking energy: -147.904
Base-Backbone interact. energy: -0.132
local terms energy: -145.386700
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -41.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -462.255981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.255981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.255981 (E_RNA)
where:
Base-Base interactions energy: -321.272
where: short stacking energy: -138.685
Base-Backbone interact. energy: -0.469
local terms energy: -140.515158
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -27.597
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -40.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -435.859808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.859808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.859808 (E_RNA)
where:
Base-Base interactions energy: -293.575
where: short stacking energy: -132.065
Base-Backbone interact. energy: 0.403
local terms energy: -142.688164
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -31.410
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -37.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -453.797951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.797951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.797951 (E_RNA)
where:
Base-Base interactions energy: -321.305
where: short stacking energy: -141.132
Base-Backbone interact. energy: -0.046
local terms energy: -132.446107
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -36.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -383.922838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.922838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.922838 (E_RNA)
where:
Base-Base interactions energy: -251.914
where: short stacking energy: -120.845
Base-Backbone interact. energy: -1.074
local terms energy: -130.933983
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -28.560
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: 155
Temperature: 1.200000
Total energy: -306.869230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.869230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.869230 (E_RNA)
where:
Base-Base interactions energy: -196.300
where: short stacking energy: -86.445
Base-Backbone interact. energy: -0.498
local terms energy: -110.071673
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -12.440
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: 155
Temperature: 1.250000
Total energy: -316.302862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.302862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.302862 (E_RNA)
where:
Base-Base interactions energy: -193.460
where: short stacking energy: -89.926
Base-Backbone interact. energy: -0.210
local terms energy: -122.633121
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -26.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -251.171239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.171239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.171239 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.914
local terms energy: -95.197125
where:
bonds (distance) C4'-P energy: -29.880
bonds (distance) P-C4' energy: -25.055
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -240.241248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.241248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.241248 (E_RNA)
where:
Base-Base interactions energy: -153.619
where: short stacking energy: -75.058
Base-Backbone interact. energy: -1.030
local terms energy: -85.592093
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -9.663
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: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -479.722227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.722227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.722227 (E_RNA)
where:
Base-Base interactions energy: -331.156
where: short stacking energy: -140.808
Base-Backbone interact. energy: -1.440
local terms energy: -147.127146
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -38.406
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: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -458.884742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.884742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.884742 (E_RNA)
where:
Base-Base interactions energy: -327.315
where: short stacking energy: -145.696
Base-Backbone interact. energy: -0.543
local terms energy: -131.026408
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -36.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -484.490481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.490481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.490481 (E_RNA)
where:
Base-Base interactions energy: -337.467
where: short stacking energy: -154.763
Base-Backbone interact. energy: -0.644
local terms energy: -146.379702
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -29.259
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -40.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -428.492747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.492747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.492747 (E_RNA)
where:
Base-Base interactions energy: -296.862
where: short stacking energy: -134.682
Base-Backbone interact. energy: -0.010
local terms energy: -131.621091
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -33.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -430.034381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.034381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.034381 (E_RNA)
where:
Base-Base interactions energy: -313.976
where: short stacking energy: -146.481
Base-Backbone interact. energy: -0.162
local terms energy: -115.896456
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -28.572
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -34.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -397.869696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.869696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.869696 (E_RNA)
where:
Base-Base interactions energy: -278.739
where: short stacking energy: -130.638
Base-Backbone interact. energy: 0.316
local terms energy: -119.447038
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -341.878585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.878585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.878585 (E_RNA)
where:
Base-Base interactions energy: -215.164
where: short stacking energy: -119.748
Base-Backbone interact. energy: -0.505
local terms energy: -126.210478
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -32.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -329.937154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.937154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.937154 (E_RNA)
where:
Base-Base interactions energy: -220.075
where: short stacking energy: -92.736
Base-Backbone interact. energy: -0.768
local terms energy: -109.094486
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -245.219897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.219897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.219897 (E_RNA)
where:
Base-Base interactions energy: -144.499
where: short stacking energy: -74.397
Base-Backbone interact. energy: -0.658
local terms energy: -100.062747
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -234.054053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.054053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.054053 (E_RNA)
where:
Base-Base interactions energy: -135.291
where: short stacking energy: -70.316
Base-Backbone interact. energy: -1.034
local terms energy: -97.729449
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -483.919931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.919931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.919931 (E_RNA)
where:
Base-Base interactions energy: -338.156
where: short stacking energy: -151.101
Base-Backbone interact. energy: -1.078
local terms energy: -144.686068
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -42.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -479.499540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.499540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.499540 (E_RNA)
where:
Base-Base interactions energy: -331.823
where: short stacking energy: -159.693
Base-Backbone interact. energy: -1.289
local terms energy: -146.387642
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -46.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -467.979704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.979704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.979704 (E_RNA)
where:
Base-Base interactions energy: -326.018
where: short stacking energy: -141.282
Base-Backbone interact. energy: 2.031
local terms energy: -143.992767
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -40.153
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: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -448.492029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.492029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.492029 (E_RNA)
where:
Base-Base interactions energy: -310.357
where: short stacking energy: -144.836
Base-Backbone interact. energy: -0.062
local terms energy: -138.073166
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -425.101813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.101813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.101813 (E_RNA)
where:
Base-Base interactions energy: -293.383
where: short stacking energy: -134.720
Base-Backbone interact. energy: -0.613
local terms energy: -131.105255
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -390.556139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.556139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.556139 (E_RNA)
where:
Base-Base interactions energy: -266.131
where: short stacking energy: -124.521
Base-Backbone interact. energy: -0.296
local terms energy: -124.128895
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -27.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -317.268904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.268904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.268904 (E_RNA)
where:
Base-Base interactions energy: -227.498
where: short stacking energy: -101.629
Base-Backbone interact. energy: -0.233
local terms energy: -89.537702
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -317.238245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.238245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.238245 (E_RNA)
where:
Base-Base interactions energy: -216.831
where: short stacking energy: -93.739
Base-Backbone interact. energy: -0.295
local terms energy: -100.111989
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -233.046478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.046478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.046478 (E_RNA)
where:
Base-Base interactions energy: -144.184
where: short stacking energy: -72.809
Base-Backbone interact. energy: 1.459
local terms energy: -90.321010
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -226.500782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.500782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.500782 (E_RNA)
where:
Base-Base interactions energy: -136.181
where: short stacking energy: -72.656
Base-Backbone interact. energy: -1.062
local terms energy: -89.257911
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -489.543495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.543495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.543495 (E_RNA)
where:
Base-Base interactions energy: -342.498
where: short stacking energy: -152.742
Base-Backbone interact. energy: -0.096
local terms energy: -146.949968
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -40.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -494.236388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.236388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.236388 (E_RNA)
where:
Base-Base interactions energy: -341.817
where: short stacking energy: -156.846
Base-Backbone interact. energy: -0.466
local terms energy: -151.953399
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -39.968
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -474.268952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.268952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.268952 (E_RNA)
where:
Base-Base interactions energy: -325.221
where: short stacking energy: -152.659
Base-Backbone interact. energy: -1.234
local terms energy: -147.813718
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -43.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -455.254076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.254076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.254076 (E_RNA)
where:
Base-Base interactions energy: -302.121
where: short stacking energy: -138.720
Base-Backbone interact. energy: -1.627
local terms energy: -151.505710
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -420.412241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.412241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.412241 (E_RNA)
where:
Base-Base interactions energy: -299.659
where: short stacking energy: -125.947
Base-Backbone interact. energy: -0.143
local terms energy: -120.610445
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -366.520861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.520861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.520861 (E_RNA)
where:
Base-Base interactions energy: -249.900
where: short stacking energy: -104.790
Base-Backbone interact. energy: -1.009
local terms energy: -115.611789
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -322.495406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.495406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.495406 (E_RNA)
where:
Base-Base interactions energy: -218.704
where: short stacking energy: -100.769
Base-Backbone interact. energy: -0.229
local terms energy: -103.562467
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -323.377053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.377053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.377053 (E_RNA)
where:
Base-Base interactions energy: -221.767
where: short stacking energy: -106.232
Base-Backbone interact. energy: -0.047
local terms energy: -101.562783
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -259.824043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.824043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.824043 (E_RNA)
where:
Base-Base interactions energy: -153.135
where: short stacking energy: -84.241
Base-Backbone interact. energy: 0.117
local terms energy: -106.806049
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -219.569336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.569336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569336 (E_RNA)
where:
Base-Base interactions energy: -133.790
where: short stacking energy: -81.982
Base-Backbone interact. energy: 0.930
local terms energy: -86.709911
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -479.687938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.687938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.687938 (E_RNA)
where:
Base-Base interactions energy: -336.261
where: short stacking energy: -150.291
Base-Backbone interact. energy: -1.220
local terms energy: -142.206902
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -38.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -491.571809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.571809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.571809 (E_RNA)
where:
Base-Base interactions energy: -336.684
where: short stacking energy: -160.159
Base-Backbone interact. energy: -1.135
local terms energy: -153.752945
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -42.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -452.883413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.883413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.883413 (E_RNA)
where:
Base-Base interactions energy: -311.816
where: short stacking energy: -136.117
Base-Backbone interact. energy: -0.576
local terms energy: -140.491033
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -37.914
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: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -439.924698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.924698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.924698 (E_RNA)
where:
Base-Base interactions energy: -304.425
where: short stacking energy: -146.778
Base-Backbone interact. energy: -0.837
local terms energy: -134.662972
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -39.194
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: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -438.219940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.219940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.219940 (E_RNA)
where:
Base-Base interactions energy: -310.193
where: short stacking energy: -137.145
Base-Backbone interact. energy: -0.441
local terms energy: -127.585297
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -40.062
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: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -386.176157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.176157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.176157 (E_RNA)
where:
Base-Base interactions energy: -272.489
where: short stacking energy: -134.794
Base-Backbone interact. energy: 0.186
local terms energy: -113.873256
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -27.203
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -31.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -341.206943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.206943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.206943 (E_RNA)
where:
Base-Base interactions energy: -226.144
where: short stacking energy: -105.596
Base-Backbone interact. energy: -0.530
local terms energy: -114.533332
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -312.175785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.175785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.175785 (E_RNA)
where:
Base-Base interactions energy: -201.659
where: short stacking energy: -97.665
Base-Backbone interact. energy: -0.365
local terms energy: -110.151603
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -221.270458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.270458 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -72.126
Base-Backbone interact. energy: 5.462
local terms energy: -79.928225
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -27.032
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -8.812
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: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -268.187358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.187358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.187358 (E_RNA)
where:
Base-Base interactions energy: -171.823
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.137
local terms energy: -96.226845
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -499.153427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.153427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.153427 (E_RNA)
where:
Base-Base interactions energy: -348.875
where: short stacking energy: -156.760
Base-Backbone interact. energy: -0.649
local terms energy: -149.629351
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -42.699
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: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -475.756750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.756750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.756750 (E_RNA)
where:
Base-Base interactions energy: -323.082
where: short stacking energy: -143.466
Base-Backbone interact. energy: -0.150
local terms energy: -152.525054
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -38.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -459.127059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.127059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.127059 (E_RNA)
where:
Base-Base interactions energy: -324.938
where: short stacking energy: -131.267
Base-Backbone interact. energy: -0.366
local terms energy: -133.822826
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -37.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -435.234497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.234497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.234497 (E_RNA)
where:
Base-Base interactions energy: -297.046
where: short stacking energy: -140.708
Base-Backbone interact. energy: -1.947
local terms energy: -136.241623
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -28.302
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -36.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -387.760715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.760715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.760715 (E_RNA)
where:
Base-Base interactions energy: -274.140
where: short stacking energy: -133.680
Base-Backbone interact. energy: -1.080
local terms energy: -112.541404
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -32.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -432.889695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.889695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.889695 (E_RNA)
where:
Base-Base interactions energy: -307.465
where: short stacking energy: -127.022
Base-Backbone interact. energy: -1.190
local terms energy: -124.234981
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -325.035676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.035676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.035676 (E_RNA)
where:
Base-Base interactions energy: -223.489
where: short stacking energy: -102.009
Base-Backbone interact. energy: -0.368
local terms energy: -101.179549
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -331.488728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.488728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.488728 (E_RNA)
where:
Base-Base interactions energy: -219.493
where: short stacking energy: -98.054
Base-Backbone interact. energy: -0.505
local terms energy: -111.490492
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -279.585449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.585449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.585449 (E_RNA)
where:
Base-Base interactions energy: -193.846
where: short stacking energy: -85.250
Base-Backbone interact. energy: -1.017
local terms energy: -84.722654
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -243.723385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.723385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.723385 (E_RNA)
where:
Base-Base interactions energy: -144.491
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.341
local terms energy: -98.891813
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -494.171198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.171198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.171198 (E_RNA)
where:
Base-Base interactions energy: -343.596
where: short stacking energy: -162.145
Base-Backbone interact. energy: -0.003
local terms energy: -150.572074
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -43.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -470.759317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.759317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.759317 (E_RNA)
where:
Base-Base interactions energy: -332.835
where: short stacking energy: -145.973
Base-Backbone interact. energy: -0.353
local terms energy: -137.570997
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -35.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -460.451232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.451232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.451232 (E_RNA)
where:
Base-Base interactions energy: -313.577
where: short stacking energy: -142.111
Base-Backbone interact. energy: -1.504
local terms energy: -145.370172
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -40.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -436.301979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.301979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.301979 (E_RNA)
where:
Base-Base interactions energy: -303.277
where: short stacking energy: -139.261
Base-Backbone interact. energy: -0.243
local terms energy: -132.781947
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -27.825
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -35.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -396.585798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.585798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.585798 (E_RNA)
where:
Base-Base interactions energy: -272.149
where: short stacking energy: -131.761
Base-Backbone interact. energy: 0.082
local terms energy: -124.518383
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -31.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -427.416883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.416883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.416883 (E_RNA)
where:
Base-Base interactions energy: -292.252
where: short stacking energy: -133.993
Base-Backbone interact. energy: 0.674
local terms energy: -135.838071
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -34.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -338.286349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.286349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.286349 (E_RNA)
where:
Base-Base interactions energy: -215.260
where: short stacking energy: -103.595
Base-Backbone interact. energy: -0.277
local terms energy: -122.748575
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -27.920
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -28.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -335.144817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.144817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.144817 (E_RNA)
where:
Base-Base interactions energy: -221.444
where: short stacking energy: -107.403
Base-Backbone interact. energy: -1.829
local terms energy: -111.872374
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -28.520
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: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -317.568742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.568742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.568742 (E_RNA)
where:
Base-Base interactions energy: -204.905
where: short stacking energy: -87.755
Base-Backbone interact. energy: 0.954
local terms energy: -113.617023
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -243.749373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.749373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.749373 (E_RNA)
where:
Base-Base interactions energy: -145.271
where: short stacking energy: -87.961
Base-Backbone interact. energy: 2.507
local terms energy: -100.985508
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -492.751089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.751089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.751089 (E_RNA)
where:
Base-Base interactions energy: -339.886
where: short stacking energy: -144.157
Base-Backbone interact. energy: 0.802
local terms energy: -153.666491
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -41.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -466.186888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.186888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.186888 (E_RNA)
where:
Base-Base interactions energy: -320.783
where: short stacking energy: -136.697
Base-Backbone interact. energy: -0.677
local terms energy: -144.727506
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -33.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -459.391120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.391120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.391120 (E_RNA)
where:
Base-Base interactions energy: -315.928
where: short stacking energy: -144.263
Base-Backbone interact. energy: -0.583
local terms energy: -142.880012
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -437.535816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.535816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.535816 (E_RNA)
where:
Base-Base interactions energy: -302.877
where: short stacking energy: -139.911
Base-Backbone interact. energy: -1.068
local terms energy: -133.590902
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -37.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -444.208105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.208105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.208105 (E_RNA)
where:
Base-Base interactions energy: -308.419
where: short stacking energy: -136.490
Base-Backbone interact. energy: -0.668
local terms energy: -135.121277
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -33.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -400.095767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.095767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.095767 (E_RNA)
where:
Base-Base interactions energy: -283.355
where: short stacking energy: -108.440
Base-Backbone interact. energy: -0.072
local terms energy: -116.668195
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -24.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -356.129205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.129205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.129205 (E_RNA)
where:
Base-Base interactions energy: -240.163
where: short stacking energy: -127.152
Base-Backbone interact. energy: 0.865
local terms energy: -116.831378
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -31.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -312.959837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.959837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.959837 (E_RNA)
where:
Base-Base interactions energy: -205.306
where: short stacking energy: -103.075
Base-Backbone interact. energy: 0.474
local terms energy: -108.127919
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -25.530
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: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -268.617094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.617094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.617094 (E_RNA)
where:
Base-Base interactions energy: -174.350
where: short stacking energy: -71.353
Base-Backbone interact. energy: -1.143
local terms energy: -93.123947
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -287.682115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.682115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.682115 (E_RNA)
where:
Base-Base interactions energy: -190.605
where: short stacking energy: -74.043
Base-Backbone interact. energy: -0.360
local terms energy: -96.717366
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -491.454263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.454263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.454263 (E_RNA)
where:
Base-Base interactions energy: -344.651
where: short stacking energy: -158.844
Base-Backbone interact. energy: -0.617
local terms energy: -146.185547
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -43.017
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: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -466.359339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.359339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.359339 (E_RNA)
where:
Base-Base interactions energy: -324.382
where: short stacking energy: -145.495
Base-Backbone interact. energy: -0.184
local terms energy: -141.792792
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -464.719244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.719244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.719244 (E_RNA)
where:
Base-Base interactions energy: -321.292
where: short stacking energy: -142.603
Base-Backbone interact. energy: -0.734
local terms energy: -142.694051
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -43.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -450.723217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.723217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.723217 (E_RNA)
where:
Base-Base interactions energy: -320.793
where: short stacking energy: -131.704
Base-Backbone interact. energy: -0.061
local terms energy: -129.869544
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -34.491
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: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -437.100078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.100078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.100078 (E_RNA)
where:
Base-Base interactions energy: -306.338
where: short stacking energy: -141.870
Base-Backbone interact. energy: 0.478
local terms energy: -131.240395
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -38.538
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: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -391.811219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.811219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.811219 (E_RNA)
where:
Base-Base interactions energy: -267.541
where: short stacking energy: -107.405
Base-Backbone interact. energy: -1.820
local terms energy: -122.450146
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -25.363
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: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -336.646567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.646567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.646567 (E_RNA)
where:
Base-Base interactions energy: -224.730
where: short stacking energy: -118.191
Base-Backbone interact. energy: 0.181
local terms energy: -112.097239
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -27.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -349.485605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.485605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.485605 (E_RNA)
where:
Base-Base interactions energy: -228.742
where: short stacking energy: -117.851
Base-Backbone interact. energy: -0.186
local terms energy: -120.557998
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -27.443
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: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -241.614023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.614023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.614023 (E_RNA)
where:
Base-Base interactions energy: -147.844
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.035
local terms energy: -93.734626
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -271.809189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.809189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.809189 (E_RNA)
where:
Base-Base interactions energy: -186.213
where: short stacking energy: -80.443
Base-Backbone interact. energy: 1.556
local terms energy: -87.152714
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -486.283870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.283870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.283870 (E_RNA)
where:
Base-Base interactions energy: -342.147
where: short stacking energy: -155.297
Base-Backbone interact. energy: -0.536
local terms energy: -143.600488
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -39.041
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: 164
Temperature: 0.950000
Total energy: -479.076865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.076865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.076865 (E_RNA)
where:
Base-Base interactions energy: -324.461
where: short stacking energy: -149.181
Base-Backbone interact. energy: -1.050
local terms energy: -153.565494
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -25.057
tors. eta vs tors. theta energy: -41.173
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: 164
Temperature: 1.000000
Total energy: -468.071820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.071820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.071820 (E_RNA)
where:
Base-Base interactions energy: -313.738
where: short stacking energy: -146.344
Base-Backbone interact. energy: -1.144
local terms energy: -153.189776
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -42.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -451.087632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.087632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.087632 (E_RNA)
where:
Base-Base interactions energy: -319.819
where: short stacking energy: -144.568
Base-Backbone interact. energy: -0.544
local terms energy: -130.724906
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -31.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -411.129009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.129009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.129009 (E_RNA)
where:
Base-Base interactions energy: -288.469
where: short stacking energy: -119.146
Base-Backbone interact. energy: -1.443
local terms energy: -121.216520
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -386.292748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.292748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.292748 (E_RNA)
where:
Base-Base interactions energy: -270.139
where: short stacking energy: -110.441
Base-Backbone interact. energy: -0.128
local terms energy: -116.026077
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -324.578163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.578163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.578163 (E_RNA)
where:
Base-Base interactions energy: -206.081
where: short stacking energy: -108.063
Base-Backbone interact. energy: 0.579
local terms energy: -119.076104
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -28.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -323.444080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.444080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.444080 (E_RNA)
where:
Base-Base interactions energy: -216.575
where: short stacking energy: -110.006
Base-Backbone interact. energy: -0.596
local terms energy: -106.273534
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -28.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -252.215368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.215368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.215368 (E_RNA)
where:
Base-Base interactions energy: -151.017
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.600
local terms energy: -100.598320
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -26.137
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -249.295563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.295563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.295563 (E_RNA)
where:
Base-Base interactions energy: -159.418
where: short stacking energy: -82.610
Base-Backbone interact. energy: -0.166
local terms energy: -89.712095
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -14.983
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: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -490.931943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.931943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.931943 (E_RNA)
where:
Base-Base interactions energy: -334.611
where: short stacking energy: -151.375
Base-Backbone interact. energy: -0.388
local terms energy: -155.932835
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -31.314
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -41.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -470.370322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.370322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.370322 (E_RNA)
where:
Base-Base interactions energy: -327.749
where: short stacking energy: -154.123
Base-Backbone interact. energy: -0.562
local terms energy: -142.059876
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -41.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -480.206423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.206423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.206423 (E_RNA)
where:
Base-Base interactions energy: -331.890
where: short stacking energy: -154.199
Base-Backbone interact. energy: -0.348
local terms energy: -147.967837
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -41.295
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: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -426.873809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.873809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.873809 (E_RNA)
where:
Base-Base interactions energy: -301.022
where: short stacking energy: -138.551
Base-Backbone interact. energy: -1.039
local terms energy: -124.812751
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -430.672266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.672266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.672266 (E_RNA)
where:
Base-Base interactions energy: -298.021
where: short stacking energy: -120.696
Base-Backbone interact. energy: -0.241
local terms energy: -132.410655
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -406.981933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.981933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.981933 (E_RNA)
where:
Base-Base interactions energy: -280.051
where: short stacking energy: -110.731
Base-Backbone interact. energy: 0.420
local terms energy: -127.351584
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -27.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -324.975017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.975017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.975017 (E_RNA)
where:
Base-Base interactions energy: -207.523
where: short stacking energy: -99.214
Base-Backbone interact. energy: -0.542
local terms energy: -116.910671
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -260.350895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.350895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.350895 (E_RNA)
where:
Base-Base interactions energy: -159.114
where: short stacking energy: -83.123
Base-Backbone interact. energy: 1.926
local terms energy: -103.163225
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -15.217
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: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -289.048590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.048590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.048590 (E_RNA)
where:
Base-Base interactions energy: -189.481
where: short stacking energy: -102.787
Base-Backbone interact. energy: -0.329
local terms energy: -99.238804
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -233.812557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.812557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.812557 (E_RNA)
where:
Base-Base interactions energy: -141.255
where: short stacking energy: -79.205
Base-Backbone interact. energy: -0.567
local terms energy: -91.990856
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -479.138500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.138500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.138500 (E_RNA)
where:
Base-Base interactions energy: -332.866
where: short stacking energy: -138.787
Base-Backbone interact. energy: -0.951
local terms energy: -145.321449
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -40.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -467.464019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.464019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.464019 (E_RNA)
where:
Base-Base interactions energy: -320.071
where: short stacking energy: -145.738
Base-Backbone interact. energy: -0.086
local terms energy: -147.307423
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -39.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -469.598308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.598308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.598308 (E_RNA)
where:
Base-Base interactions energy: -323.153
where: short stacking energy: -155.847
Base-Backbone interact. energy: -0.090
local terms energy: -146.354642
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -43.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -447.343363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.343363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.343363 (E_RNA)
where:
Base-Base interactions energy: -308.614
where: short stacking energy: -151.440
Base-Backbone interact. energy: -0.048
local terms energy: -138.680928
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -42.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -430.943295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.943295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.943295 (E_RNA)
where:
Base-Base interactions energy: -299.213
where: short stacking energy: -125.576
Base-Backbone interact. energy: 0.409
local terms energy: -132.138624
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -31.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -391.271333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.271333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.271333 (E_RNA)
where:
Base-Base interactions energy: -269.816
where: short stacking energy: -112.926
Base-Backbone interact. energy: -1.518
local terms energy: -119.937101
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -25.088
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: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -325.564765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.564765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.564765 (E_RNA)
where:
Base-Base interactions energy: -217.091
where: short stacking energy: -91.510
Base-Backbone interact. energy: -0.120
local terms energy: -108.353305
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -20.710
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -268.666579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.666579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.666579 (E_RNA)
where:
Base-Base interactions energy: -161.336
where: short stacking energy: -88.902
Base-Backbone interact. energy: 0.507
local terms energy: -107.837224
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -283.122530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.122530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.122530 (E_RNA)
where:
Base-Base interactions energy: -187.342
where: short stacking energy: -76.417
Base-Backbone interact. energy: -0.328
local terms energy: -95.453305
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -237.032675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.032675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.032675 (E_RNA)
where:
Base-Base interactions energy: -139.184
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.456
local terms energy: -97.392462
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -9.072
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: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -497.226051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.226051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.226051 (E_RNA)
where:
Base-Base interactions energy: -347.688
where: short stacking energy: -154.873
Base-Backbone interact. energy: 0.483
local terms energy: -150.020648
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -40.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -481.936351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.936351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.936351 (E_RNA)
where:
Base-Base interactions energy: -333.395
where: short stacking energy: -148.894
Base-Backbone interact. energy: -0.303
local terms energy: -148.238357
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -31.579
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -43.815
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: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -450.183663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.183663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.183663 (E_RNA)
where:
Base-Base interactions energy: -313.862
where: short stacking energy: -144.009
Base-Backbone interact. energy: -0.412
local terms energy: -135.909228
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -36.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -433.506319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.506319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.506319 (E_RNA)
where:
Base-Base interactions energy: -299.952
where: short stacking energy: -124.936
Base-Backbone interact. energy: -0.605
local terms energy: -132.949193
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -31.045
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -439.959306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.959306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.959306 (E_RNA)
where:
Base-Base interactions energy: -305.777
where: short stacking energy: -140.262
Base-Backbone interact. energy: -0.217
local terms energy: -133.964712
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -38.353
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: 167
Temperature: 1.150000
Total energy: -363.890400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.890400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.890400 (E_RNA)
where:
Base-Base interactions energy: -251.961
where: short stacking energy: -102.031
Base-Backbone interact. energy: -0.825
local terms energy: -111.104377
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -319.194920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.194920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.194920 (E_RNA)
where:
Base-Base interactions energy: -201.693
where: short stacking energy: -96.346
Base-Backbone interact. energy: -0.468
local terms energy: -117.033437
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -293.193282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.193282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.193282 (E_RNA)
where:
Base-Base interactions energy: -197.898
where: short stacking energy: -97.949
Base-Backbone interact. energy: -0.750
local terms energy: -94.546176
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -248.833044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.833044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.833044 (E_RNA)
where:
Base-Base interactions energy: -151.381
where: short stacking energy: -78.861
Base-Backbone interact. energy: 0.012
local terms energy: -97.463656
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -220.172341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172341 (E_RNA)
where:
Base-Base interactions energy: -130.632
where: short stacking energy: -72.577
Base-Backbone interact. energy: 0.531
local terms energy: -90.071638
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -483.689247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.689247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.689247 (E_RNA)
where:
Base-Base interactions energy: -347.105
where: short stacking energy: -158.123
Base-Backbone interact. energy: -0.511
local terms energy: -136.072872
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -38.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -490.934843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.934843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.934843 (E_RNA)
where:
Base-Base interactions energy: -335.641
where: short stacking energy: -153.849
Base-Backbone interact. energy: -0.494
local terms energy: -154.799184
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -40.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -458.746040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.746040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.746040 (E_RNA)
where:
Base-Base interactions energy: -321.877
where: short stacking energy: -141.322
Base-Backbone interact. energy: -0.207
local terms energy: -136.661824
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -37.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -430.550955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.550955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.550955 (E_RNA)
where:
Base-Base interactions energy: -297.283
where: short stacking energy: -131.151
Base-Backbone interact. energy: -1.511
local terms energy: -131.757155
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -35.060
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: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -424.931677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.931677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.931677 (E_RNA)
where:
Base-Base interactions energy: -290.553
where: short stacking energy: -135.982
Base-Backbone interact. energy: 0.884
local terms energy: -135.262633
where:
bonds (distance) C4'-P energy: -25.689
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -37.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -380.129515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.129515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.129515 (E_RNA)
where:
Base-Base interactions energy: -266.819
where: short stacking energy: -113.281
Base-Backbone interact. energy: -1.547
local terms energy: -111.762904
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -24.909
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -315.032072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.032072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.032072 (E_RNA)
where:
Base-Base interactions energy: -197.280
where: short stacking energy: -87.739
Base-Backbone interact. energy: -1.854
local terms energy: -115.897823
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -343.151564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.151564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.151564 (E_RNA)
where:
Base-Base interactions energy: -245.923
where: short stacking energy: -107.579
Base-Backbone interact. energy: 0.322
local terms energy: -97.549817
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -252.317061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.317061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.317061 (E_RNA)
where:
Base-Base interactions energy: -144.164
where: short stacking energy: -61.994
Base-Backbone interact. energy: -1.018
local terms energy: -107.134835
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -14.446
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: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -249.488397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.488397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.488397 (E_RNA)
where:
Base-Base interactions energy: -141.715
where: short stacking energy: -75.392
Base-Backbone interact. energy: -1.210
local terms energy: -106.564015
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -12.243
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: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -494.636237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.636237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.636237 (E_RNA)
where:
Base-Base interactions energy: -353.439
where: short stacking energy: -154.365
Base-Backbone interact. energy: -0.243
local terms energy: -140.954084
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -40.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -480.633283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.633283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.633283 (E_RNA)
where:
Base-Base interactions energy: -326.558
where: short stacking energy: -161.338
Base-Backbone interact. energy: -0.795
local terms energy: -153.280468
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -43.799
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: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -465.752140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.752140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.752140 (E_RNA)
where:
Base-Base interactions energy: -324.240
where: short stacking energy: -154.496
Base-Backbone interact. energy: -0.545
local terms energy: -140.967419
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -426.486967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.486967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.486967 (E_RNA)
where:
Base-Base interactions energy: -300.941
where: short stacking energy: -139.418
Base-Backbone interact. energy: -0.019
local terms energy: -125.526983
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -35.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -418.186535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.186535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.186535 (E_RNA)
where:
Base-Base interactions energy: -288.768
where: short stacking energy: -121.330
Base-Backbone interact. energy: -1.952
local terms energy: -127.467173
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: -28.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -378.580739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.580739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.580739 (E_RNA)
where:
Base-Base interactions energy: -276.736
where: short stacking energy: -108.102
Base-Backbone interact. energy: -0.610
local terms energy: -101.234234
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -317.796517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.796517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.796517 (E_RNA)
where:
Base-Base interactions energy: -203.016
where: short stacking energy: -103.212
Base-Backbone interact. energy: -0.530
local terms energy: -114.249604
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -28.669
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: 169
Temperature: 1.250000
Total energy: -324.035253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.035253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.035253 (E_RNA)
where:
Base-Base interactions energy: -216.564
where: short stacking energy: -105.497
Base-Backbone interact. energy: 0.158
local terms energy: -107.629653
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -238.518251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.518251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.518251 (E_RNA)
where:
Base-Base interactions energy: -155.658
where: short stacking energy: -80.275
Base-Backbone interact. energy: 0.206
local terms energy: -83.066420
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -244.353601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.353601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.353601 (E_RNA)
where:
Base-Base interactions energy: -151.470
where: short stacking energy: -74.350
Base-Backbone interact. energy: -0.539
local terms energy: -92.344357
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -12.872
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: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -491.752544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.752544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.752544 (E_RNA)
where:
Base-Base interactions energy: -345.317
where: short stacking energy: -158.362
Base-Backbone interact. energy: -0.020
local terms energy: -146.415754
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -488.850421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.850421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.850421 (E_RNA)
where:
Base-Base interactions energy: -338.278
where: short stacking energy: -153.130
Base-Backbone interact. energy: 0.001
local terms energy: -150.573741
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -40.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -452.435189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.435189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.435189 (E_RNA)
where:
Base-Base interactions energy: -304.885
where: short stacking energy: -144.251
Base-Backbone interact. energy: -1.116
local terms energy: -146.434465
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -41.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -423.421529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.421529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.421529 (E_RNA)
where:
Base-Base interactions energy: -285.853
where: short stacking energy: -136.114
Base-Backbone interact. energy: -0.081
local terms energy: -137.487621
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -36.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -397.473301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.473301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.473301 (E_RNA)
where:
Base-Base interactions energy: -279.857
where: short stacking energy: -121.368
Base-Backbone interact. energy: -1.944
local terms energy: -115.672479
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -402.091198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.091198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.091198 (E_RNA)
where:
Base-Base interactions energy: -282.630
where: short stacking energy: -135.392
Base-Backbone interact. energy: 5.804
local terms energy: -125.265135
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -364.357598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.357598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.357598 (E_RNA)
where:
Base-Base interactions energy: -245.414
where: short stacking energy: -117.629
Base-Backbone interact. energy: -0.670
local terms energy: -118.272787
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -28.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -309.822851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.822851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.822851 (E_RNA)
where:
Base-Base interactions energy: -212.411
where: short stacking energy: -102.204
Base-Backbone interact. energy: -0.425
local terms energy: -96.986257
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -24.554
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: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -261.828576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.828576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.828576 (E_RNA)
where:
Base-Base interactions energy: -162.633
where: short stacking energy: -97.124
Base-Backbone interact. energy: 1.495
local terms energy: -100.690643
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -16.592
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: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -246.823388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.823388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.823388 (E_RNA)
where:
Base-Base interactions energy: -147.203
where: short stacking energy: -88.275
Base-Backbone interact. energy: -0.153
local terms energy: -99.467305
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -494.560618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.560618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.560618 (E_RNA)
where:
Base-Base interactions energy: -346.362
where: short stacking energy: -153.882
Base-Backbone interact. energy: 1.779
local terms energy: -149.977623
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -41.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -450.762926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.762926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.762926 (E_RNA)
where:
Base-Base interactions energy: -315.665
where: short stacking energy: -137.361
Base-Backbone interact. energy: -0.805
local terms energy: -134.292634
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -36.890
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: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -474.311807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.311807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.311807 (E_RNA)
where:
Base-Base interactions energy: -322.454
where: short stacking energy: -147.154
Base-Backbone interact. energy: -1.046
local terms energy: -150.811546
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -31.673
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -40.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -430.361633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.361633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.361633 (E_RNA)
where:
Base-Base interactions energy: -295.312
where: short stacking energy: -141.918
Base-Backbone interact. energy: 1.376
local terms energy: -136.425655
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -35.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -377.455330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.455330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.455330 (E_RNA)
where:
Base-Base interactions energy: -268.066
where: short stacking energy: -108.624
Base-Backbone interact. energy: -0.989
local terms energy: -108.400816
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -19.655
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: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -406.009471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.009471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.009471 (E_RNA)
where:
Base-Base interactions energy: -281.653
where: short stacking energy: -128.374
Base-Backbone interact. energy: -0.346
local terms energy: -124.009900
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -32.095
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: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -358.828446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.828446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.828446 (E_RNA)
where:
Base-Base interactions energy: -238.426
where: short stacking energy: -117.417
Base-Backbone interact. energy: -1.159
local terms energy: -119.243756
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -27.729
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: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -320.944150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.944150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.944150 (E_RNA)
where:
Base-Base interactions energy: -210.476
where: short stacking energy: -98.867
Base-Backbone interact. energy: -0.202
local terms energy: -110.266508
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -247.158961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.158961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.158961 (E_RNA)
where:
Base-Base interactions energy: -141.058
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.379
local terms energy: -105.721861
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -17.706
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: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -241.727746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.727746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.727746 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -76.610
Base-Backbone interact. energy: -0.092
local terms energy: -93.922309
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -497.512950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.512950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.512950 (E_RNA)
where:
Base-Base interactions energy: -340.620
where: short stacking energy: -157.894
Base-Backbone interact. energy: -0.258
local terms energy: -156.635261
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -45.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -451.749968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.749968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.749968 (E_RNA)
where:
Base-Base interactions energy: -304.134
where: short stacking energy: -142.606
Base-Backbone interact. energy: -3.334
local terms energy: -144.282535
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -37.156
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -442.183405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.183405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.183405 (E_RNA)
where:
Base-Base interactions energy: -293.023
where: short stacking energy: -138.558
Base-Backbone interact. energy: -2.075
local terms energy: -147.085819
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -41.652
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: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -456.007536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.007536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.007536 (E_RNA)
where:
Base-Base interactions energy: -315.038
where: short stacking energy: -144.988
Base-Backbone interact. energy: 0.131
local terms energy: -141.100483
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -40.120
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: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -407.703052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.703052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.703052 (E_RNA)
where:
Base-Base interactions energy: -283.522
where: short stacking energy: -128.053
Base-Backbone interact. energy: 0.027
local terms energy: -124.207835
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -34.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -370.296233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.296233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.296233 (E_RNA)
where:
Base-Base interactions energy: -256.788
where: short stacking energy: -113.512
Base-Backbone interact. energy: 0.268
local terms energy: -113.776152
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -342.641872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.641872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.641872 (E_RNA)
where:
Base-Base interactions energy: -227.014
where: short stacking energy: -116.817
Base-Backbone interact. energy: -0.069
local terms energy: -115.558485
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -338.275724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.275724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.275724 (E_RNA)
where:
Base-Base interactions energy: -228.254
where: short stacking energy: -119.687
Base-Backbone interact. energy: -0.077
local terms energy: -109.944882
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -30.596
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: 172
Temperature: 1.300000
Total energy: -254.805251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.805251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.805251 (E_RNA)
where:
Base-Base interactions energy: -154.254
where: short stacking energy: -73.807
Base-Backbone interact. energy: 1.551
local terms energy: -102.102256
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -218.109026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.109026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.109026 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.167
local terms energy: -79.123448
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -496.475068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.475068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.475068 (E_RNA)
where:
Base-Base interactions energy: -347.698
where: short stacking energy: -164.871
Base-Backbone interact. energy: -0.176
local terms energy: -148.600613
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -453.185868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.185868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.185868 (E_RNA)
where:
Base-Base interactions energy: -303.312
where: short stacking energy: -137.525
Base-Backbone interact. energy: -1.752
local terms energy: -148.121662
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -40.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -448.468593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.468593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.468593 (E_RNA)
where:
Base-Base interactions energy: -305.798
where: short stacking energy: -140.935
Base-Backbone interact. energy: -0.394
local terms energy: -142.276570
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -34.063
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: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -453.644765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.644765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.644765 (E_RNA)
where:
Base-Base interactions energy: -311.612
where: short stacking energy: -148.385
Base-Backbone interact. energy: -0.873
local terms energy: -141.159237
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -403.816804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.816804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.816804 (E_RNA)
where:
Base-Base interactions energy: -280.585
where: short stacking energy: -131.353
Base-Backbone interact. energy: -0.035
local terms energy: -123.196884
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -34.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -377.281737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.281737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.281737 (E_RNA)
where:
Base-Base interactions energy: -266.372
where: short stacking energy: -111.924
Base-Backbone interact. energy: -0.553
local terms energy: -110.356486
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -24.313
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -324.750455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.750455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.750455 (E_RNA)
where:
Base-Base interactions energy: -212.631
where: short stacking energy: -103.412
Base-Backbone interact. energy: -1.388
local terms energy: -110.731511
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -289.261125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.261125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.261125 (E_RNA)
where:
Base-Base interactions energy: -186.023
where: short stacking energy: -92.423
Base-Backbone interact. energy: 0.860
local terms energy: -104.097907
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -25.633
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: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -256.731114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.731114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.731114 (E_RNA)
where:
Base-Base interactions energy: -163.369
where: short stacking energy: -88.142
Base-Backbone interact. energy: -0.244
local terms energy: -93.117497
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -216.947220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.947220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.947220 (E_RNA)
where:
Base-Base interactions energy: -129.473
where: short stacking energy: -74.756
Base-Backbone interact. energy: -0.303
local terms energy: -87.170666
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -19.098
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: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -458.823964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.823964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.823964 (E_RNA)
where:
Base-Base interactions energy: -311.510
where: short stacking energy: -146.207
Base-Backbone interact. energy: 0.014
local terms energy: -147.327721
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -27.106
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -40.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -483.413475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.413475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.413475 (E_RNA)
where:
Base-Base interactions energy: -340.956
where: short stacking energy: -153.902
Base-Backbone interact. energy: -0.682
local terms energy: -141.775727
where:
bonds (distance) C4'-P energy: -25.929
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -41.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -467.720908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.720908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.720908 (E_RNA)
where:
Base-Base interactions energy: -320.054
where: short stacking energy: -142.924
Base-Backbone interact. energy: -0.199
local terms energy: -147.468425
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -40.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -426.467203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.467203 (E_RNA)
where:
Base-Base interactions energy: -287.944
where: short stacking energy: -133.277
Base-Backbone interact. energy: -0.028
local terms energy: -138.495570
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -32.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -392.405846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.405846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.405846 (E_RNA)
where:
Base-Base interactions energy: -269.507
where: short stacking energy: -122.939
Base-Backbone interact. energy: 0.468
local terms energy: -123.366108
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -25.630
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -28.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -387.380983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.380983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.380983 (E_RNA)
where:
Base-Base interactions energy: -255.504
where: short stacking energy: -129.548
Base-Backbone interact. energy: -0.551
local terms energy: -131.325356
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -37.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -335.372109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.372109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.372109 (E_RNA)
where:
Base-Base interactions energy: -219.455
where: short stacking energy: -114.156
Base-Backbone interact. energy: -2.092
local terms energy: -113.825015
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -30.305
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: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -306.988872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.988872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.988872 (E_RNA)
where:
Base-Base interactions energy: -183.881
where: short stacking energy: -114.204
Base-Backbone interact. energy: -0.045
local terms energy: -123.062756
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -31.577
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: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -259.588686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.588686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.588686 (E_RNA)
where:
Base-Base interactions energy: -153.731
where: short stacking energy: -79.842
Base-Backbone interact. energy: 0.054
local terms energy: -105.911070
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -209.046396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.046396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.046396 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.239
local terms energy: -77.402150
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -9.361
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: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -468.893649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.893649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.893649 (E_RNA)
where:
Base-Base interactions energy: -316.709
where: short stacking energy: -154.153
Base-Backbone interact. energy: -0.887
local terms energy: -151.297856
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -43.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -487.697008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.697008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.697008 (E_RNA)
where:
Base-Base interactions energy: -335.821
where: short stacking energy: -155.778
Base-Backbone interact. energy: -0.238
local terms energy: -151.638160
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -48.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -477.512889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.512889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.512889 (E_RNA)
where:
Base-Base interactions energy: -334.821
where: short stacking energy: -150.326
Base-Backbone interact. energy: 0.644
local terms energy: -143.335884
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -40.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -408.518382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.518382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.518382 (E_RNA)
where:
Base-Base interactions energy: -276.664
where: short stacking energy: -124.675
Base-Backbone interact. energy: -0.389
local terms energy: -131.464981
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -32.546
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: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -429.193352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.193352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.193352 (E_RNA)
where:
Base-Base interactions energy: -301.569
where: short stacking energy: -142.371
Base-Backbone interact. energy: -0.107
local terms energy: -127.517606
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -38.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -391.579488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.579488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.579488 (E_RNA)
where:
Base-Base interactions energy: -261.731
where: short stacking energy: -120.696
Base-Backbone interact. energy: -1.571
local terms energy: -128.277418
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -35.665
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: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -329.287156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.287156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.287156 (E_RNA)
where:
Base-Base interactions energy: -224.039
where: short stacking energy: -112.706
Base-Backbone interact. energy: -0.772
local terms energy: -104.475988
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -257.108674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.108674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.108674 (E_RNA)
where:
Base-Base interactions energy: -156.616
where: short stacking energy: -80.135
Base-Backbone interact. energy: -0.174
local terms energy: -100.318724
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -261.337397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.337397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.337397 (E_RNA)
where:
Base-Base interactions energy: -166.684
where: short stacking energy: -80.198
Base-Backbone interact. energy: -0.401
local terms energy: -94.252986
where:
bonds (distance) C4'-P energy: -28.841
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -233.279549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.279549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.279549 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.549
local terms energy: -91.440984
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -7.747
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -487.367649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.367649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.367649 (E_RNA)
where:
Base-Base interactions energy: -339.485
where: short stacking energy: -162.176
Base-Backbone interact. energy: -0.599
local terms energy: -147.283008
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -47.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -463.778047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.778047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.778047 (E_RNA)
where:
Base-Base interactions energy: -312.732
where: short stacking energy: -146.337
Base-Backbone interact. energy: -1.310
local terms energy: -149.736156
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -38.994
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: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -474.387778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.387778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.387778 (E_RNA)
where:
Base-Base interactions energy: -319.361
where: short stacking energy: -141.054
Base-Backbone interact. energy: -0.024
local terms energy: -155.003501
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -40.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -398.497283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.497283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.497283 (E_RNA)
where:
Base-Base interactions energy: -277.438
where: short stacking energy: -113.032
Base-Backbone interact. energy: -0.349
local terms energy: -120.710735
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -31.121
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: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -407.366436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.366436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.366436 (E_RNA)
where:
Base-Base interactions energy: -279.164
where: short stacking energy: -139.980
Base-Backbone interact. energy: 2.014
local terms energy: -130.216299
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -36.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -435.183720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.183720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.183720 (E_RNA)
where:
Base-Base interactions energy: -292.879
where: short stacking energy: -142.893
Base-Backbone interact. energy: -0.172
local terms energy: -142.132326
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -38.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -278.819309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.819309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.819309 (E_RNA)
where:
Base-Base interactions energy: -165.701
where: short stacking energy: -100.754
Base-Backbone interact. energy: -2.050
local terms energy: -111.068378
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -15.998
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: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -306.730832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.730832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.730832 (E_RNA)
where:
Base-Base interactions energy: -212.331
where: short stacking energy: -98.400
Base-Backbone interact. energy: 2.726
local terms energy: -97.125214
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -273.846545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.846545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.846545 (E_RNA)
where:
Base-Base interactions energy: -188.813
where: short stacking energy: -86.131
Base-Backbone interact. energy: -0.627
local terms energy: -84.407247
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -6.648
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -249.331341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.331341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.331341 (E_RNA)
where:
Base-Base interactions energy: -153.998
where: short stacking energy: -83.263
Base-Backbone interact. energy: 2.503
local terms energy: -97.836514
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -492.106281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.106281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.106281 (E_RNA)
where:
Base-Base interactions energy: -334.546
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.019
local terms energy: -157.541398
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -46.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -483.572392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.572392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.572392 (E_RNA)
where:
Base-Base interactions energy: -337.157
where: short stacking energy: -145.129
Base-Backbone interact. energy: -0.291
local terms energy: -146.124315
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -41.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -435.961354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.961354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.961354 (E_RNA)
where:
Base-Base interactions energy: -308.881
where: short stacking energy: -138.540
Base-Backbone interact. energy: -0.429
local terms energy: -126.651087
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -37.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -422.576881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.576881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.576881 (E_RNA)
where:
Base-Base interactions energy: -296.127
where: short stacking energy: -130.285
Base-Backbone interact. energy: 0.573
local terms energy: -127.022903
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -30.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -400.707185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.707185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.707185 (E_RNA)
where:
Base-Base interactions energy: -286.816
where: short stacking energy: -123.473
Base-Backbone interact. energy: -0.693
local terms energy: -113.197366
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -27.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -436.268886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.268886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.268886 (E_RNA)
where:
Base-Base interactions energy: -305.164
where: short stacking energy: -151.009
Base-Backbone interact. energy: -0.320
local terms energy: -130.784608
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -286.620995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.620995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.620995 (E_RNA)
where:
Base-Base interactions energy: -181.750
where: short stacking energy: -93.088
Base-Backbone interact. energy: 0.306
local terms energy: -105.176568
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -286.079208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.079208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.079208 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -95.071
Base-Backbone interact. energy: -0.124
local terms energy: -115.814092
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -18.367
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: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -309.289134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.289134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.289134 (E_RNA)
where:
Base-Base interactions energy: -196.324
where: short stacking energy: -93.767
Base-Backbone interact. energy: -0.860
local terms energy: -112.105801
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -21.980
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: 177
Temperature: 1.350000
Total energy: -233.146312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.146312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.146312 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -78.880
Base-Backbone interact. energy: -1.151
local terms energy: -95.043238
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -14.262
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -480.359447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.359447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.359447 (E_RNA)
where:
Base-Base interactions energy: -322.135
where: short stacking energy: -151.483
Base-Backbone interact. energy: -0.090
local terms energy: -158.134210
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -44.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -484.263240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.263240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.263240 (E_RNA)
where:
Base-Base interactions energy: -333.997
where: short stacking energy: -146.488
Base-Backbone interact. energy: -0.258
local terms energy: -150.008237
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -39.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -455.906954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.906954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.906954 (E_RNA)
where:
Base-Base interactions energy: -315.566
where: short stacking energy: -147.461
Base-Backbone interact. energy: -0.960
local terms energy: -139.381319
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -38.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -410.097091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.097091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.097091 (E_RNA)
where:
Base-Base interactions energy: -278.298
where: short stacking energy: -125.556
Base-Backbone interact. energy: -0.426
local terms energy: -131.372813
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -435.394754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.394754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.394754 (E_RNA)
where:
Base-Base interactions energy: -302.659
where: short stacking energy: -141.886
Base-Backbone interact. energy: -0.682
local terms energy: -132.053362
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -37.596
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: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -374.566799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.566799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.566799 (E_RNA)
where:
Base-Base interactions energy: -264.301
where: short stacking energy: -124.580
Base-Backbone interact. energy: -0.159
local terms energy: -110.106070
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -26.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -294.248037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.248037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.248037 (E_RNA)
where:
Base-Base interactions energy: -180.577
where: short stacking energy: -97.923
Base-Backbone interact. energy: -0.418
local terms energy: -113.252932
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -287.836139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.836139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.836139 (E_RNA)
where:
Base-Base interactions energy: -185.248
where: short stacking energy: -85.279
Base-Backbone interact. energy: -0.993
local terms energy: -101.594720
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -305.811073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.811073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.811073 (E_RNA)
where:
Base-Base interactions energy: -207.347
where: short stacking energy: -98.325
Base-Backbone interact. energy: -0.421
local terms energy: -98.043078
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -233.863348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.863348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.863348 (E_RNA)
where:
Base-Base interactions energy: -147.868
where: short stacking energy: -80.999
Base-Backbone interact. energy: -0.172
local terms energy: -85.824015
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -484.703063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.703063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.703063 (E_RNA)
where:
Base-Base interactions energy: -343.630
where: short stacking energy: -162.420
Base-Backbone interact. energy: -0.464
local terms energy: -140.608959
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -43.519
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: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -490.940264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.940264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.940264 (E_RNA)
where:
Base-Base interactions energy: -352.140
where: short stacking energy: -158.777
Base-Backbone interact. energy: -0.080
local terms energy: -138.720016
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -41.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -465.387824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.387824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.387824 (E_RNA)
where:
Base-Base interactions energy: -331.641
where: short stacking energy: -152.582
Base-Backbone interact. energy: -0.679
local terms energy: -133.068047
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -38.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -444.947276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.947276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.947276 (E_RNA)
where:
Base-Base interactions energy: -303.962
where: short stacking energy: -145.689
Base-Backbone interact. energy: -0.600
local terms energy: -140.385070
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -37.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -408.809062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.809062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.809062 (E_RNA)
where:
Base-Base interactions energy: -283.650
where: short stacking energy: -138.696
Base-Backbone interact. energy: -0.556
local terms energy: -124.603055
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -35.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -368.925739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.925739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.925739 (E_RNA)
where:
Base-Base interactions energy: -246.452
where: short stacking energy: -107.448
Base-Backbone interact. energy: -0.260
local terms energy: -122.213828
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -287.053307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.053307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.053307 (E_RNA)
where:
Base-Base interactions energy: -169.781
where: short stacking energy: -90.688
Base-Backbone interact. energy: -1.620
local terms energy: -115.652701
where:
bonds (distance) C4'-P energy: -27.899
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -341.452365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.452365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.452365 (E_RNA)
where:
Base-Base interactions energy: -223.689
where: short stacking energy: -110.997
Base-Backbone interact. energy: 0.700
local terms energy: -118.463136
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -28.407
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -246.189887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.189887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.189887 (E_RNA)
where:
Base-Base interactions energy: -159.371
where: short stacking energy: -85.343
Base-Backbone interact. energy: -0.146
local terms energy: -86.673408
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -237.857494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.857494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.857494 (E_RNA)
where:
Base-Base interactions energy: -137.468
where: short stacking energy: -67.572
Base-Backbone interact. energy: 0.457
local terms energy: -100.845955
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -490.002908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.002908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.002908 (E_RNA)
where:
Base-Base interactions energy: -345.652
where: short stacking energy: -160.828
Base-Backbone interact. energy: -0.199
local terms energy: -144.151688
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -484.896388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.896388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.896388 (E_RNA)
where:
Base-Base interactions energy: -332.758
where: short stacking energy: -161.950
Base-Backbone interact. energy: -0.886
local terms energy: -151.252267
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -459.146377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.146377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.146377 (E_RNA)
where:
Base-Base interactions energy: -327.302
where: short stacking energy: -148.309
Base-Backbone interact. energy: -0.360
local terms energy: -131.484950
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -38.636
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: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -459.251410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.251410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.251410 (E_RNA)
where:
Base-Base interactions energy: -313.054
where: short stacking energy: -135.495
Base-Backbone interact. energy: -0.010
local terms energy: -146.188008
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -37.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -383.588394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.588394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.588394 (E_RNA)
where:
Base-Base interactions energy: -256.425
where: short stacking energy: -124.634
Base-Backbone interact. energy: 2.977
local terms energy: -130.140488
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -33.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -388.521802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.521802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.521802 (E_RNA)
where:
Base-Base interactions energy: -265.561
where: short stacking energy: -114.664
Base-Backbone interact. energy: -0.479
local terms energy: -122.481741
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -330.834789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.834789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.834789 (E_RNA)
where:
Base-Base interactions energy: -221.003
where: short stacking energy: -99.292
Base-Backbone interact. energy: -1.215
local terms energy: -108.616336
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -28.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -274.840114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.840114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.840114 (E_RNA)
where:
Base-Base interactions energy: -174.503
where: short stacking energy: -94.867
Base-Backbone interact. energy: 0.050
local terms energy: -100.387988
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -243.811562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.811562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.811562 (E_RNA)
where:
Base-Base interactions energy: -148.871
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.070
local terms energy: -94.870732
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -253.154094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.154094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.154094 (E_RNA)
where:
Base-Base interactions energy: -151.095
where: short stacking energy: -87.759
Base-Backbone interact. energy: -0.223
local terms energy: -101.836325
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -19.974
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: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -476.468613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.468613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.468613 (E_RNA)
where:
Base-Base interactions energy: -322.811
where: short stacking energy: -144.962
Base-Backbone interact. energy: -1.056
local terms energy: -152.600907
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -42.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -481.857617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.857617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.857617 (E_RNA)
where:
Base-Base interactions energy: -334.935
where: short stacking energy: -153.810
Base-Backbone interact. energy: -0.216
local terms energy: -146.706680
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -455.880185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.880185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.880185 (E_RNA)
where:
Base-Base interactions energy: -319.182
where: short stacking energy: -146.040
Base-Backbone interact. energy: -1.044
local terms energy: -135.653693
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -35.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -452.059994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.059994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.059994 (E_RNA)
where:
Base-Base interactions energy: -315.854
where: short stacking energy: -130.259
Base-Backbone interact. energy: -1.148
local terms energy: -135.057473
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -36.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -380.641716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.641716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.641716 (E_RNA)
where:
Base-Base interactions energy: -255.346
where: short stacking energy: -116.628
Base-Backbone interact. energy: -0.900
local terms energy: -124.395968
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -25.045
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: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -325.223384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.223384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.223384 (E_RNA)
where:
Base-Base interactions energy: -207.851
where: short stacking energy: -108.379
Base-Backbone interact. energy: -0.041
local terms energy: -117.331632
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -27.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -383.573332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.573332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.573332 (E_RNA)
where:
Base-Base interactions energy: -274.703
where: short stacking energy: -118.094
Base-Backbone interact. energy: -0.256
local terms energy: -108.614047
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -24.063
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: 181
Temperature: 1.250000
Total energy: -256.538105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.538105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.538105 (E_RNA)
where:
Base-Base interactions energy: -164.464
where: short stacking energy: -95.748
Base-Backbone interact. energy: -0.457
local terms energy: -91.617060
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -25.871
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -280.077238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.077238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.077238 (E_RNA)
where:
Base-Base interactions energy: -172.531
where: short stacking energy: -81.245
Base-Backbone interact. energy: 0.284
local terms energy: -107.829772
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -15.895
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: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -246.883246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.883246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.883246 (E_RNA)
where:
Base-Base interactions energy: -154.604
where: short stacking energy: -85.069
Base-Backbone interact. energy: 0.149
local terms energy: -92.428292
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -15.599
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: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -469.858739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.858739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.858739 (E_RNA)
where:
Base-Base interactions energy: -329.692
where: short stacking energy: -154.007
Base-Backbone interact. energy: -0.042
local terms energy: -140.124522
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -41.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -486.212348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.212348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.212348 (E_RNA)
where:
Base-Base interactions energy: -342.459
where: short stacking energy: -162.968
Base-Backbone interact. energy: -0.665
local terms energy: -143.087815
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -30.904
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -456.092634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.092634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.092634 (E_RNA)
where:
Base-Base interactions energy: -318.377
where: short stacking energy: -147.171
Base-Backbone interact. energy: -0.781
local terms energy: -136.933875
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -32.555
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -36.691
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -448.687475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.687475 (E_RNA)
where:
Base-Base interactions energy: -311.918
where: short stacking energy: -151.117
Base-Backbone interact. energy: -0.492
local terms energy: -136.277860
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -386.362121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.362121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.362121 (E_RNA)
where:
Base-Base interactions energy: -268.520
where: short stacking energy: -127.124
Base-Backbone interact. energy: -1.191
local terms energy: -116.651088
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -313.412688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.412688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.412688 (E_RNA)
where:
Base-Base interactions energy: -203.137
where: short stacking energy: -109.031
Base-Backbone interact. energy: -0.069
local terms energy: -110.207049
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -30.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -347.724010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.724010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.724010 (E_RNA)
where:
Base-Base interactions energy: -233.612
where: short stacking energy: -102.649
Base-Backbone interact. energy: -0.316
local terms energy: -113.795726
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -264.445577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.445577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.445577 (E_RNA)
where:
Base-Base interactions energy: -161.131
where: short stacking energy: -86.378
Base-Backbone interact. energy: -0.519
local terms energy: -102.795420
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -303.152467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.152467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.152467 (E_RNA)
where:
Base-Base interactions energy: -201.398
where: short stacking energy: -88.245
Base-Backbone interact. energy: -1.233
local terms energy: -100.521173
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -253.586584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.586584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.586584 (E_RNA)
where:
Base-Base interactions energy: -161.492
where: short stacking energy: -76.155
Base-Backbone interact. energy: 1.424
local terms energy: -93.518478
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -13.137
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -472.386227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.386227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.386227 (E_RNA)
where:
Base-Base interactions energy: -329.061
where: short stacking energy: -142.395
Base-Backbone interact. energy: -1.182
local terms energy: -142.143797
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -31.206
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -38.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -469.576045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.576045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.576045 (E_RNA)
where:
Base-Base interactions energy: -319.470
where: short stacking energy: -147.302
Base-Backbone interact. energy: -0.425
local terms energy: -149.681935
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -32.786
flat angles C4'-P-C4' energy: -30.890
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -41.101
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: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -454.828108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.828108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.828108 (E_RNA)
where:
Base-Base interactions energy: -329.604
where: short stacking energy: -143.815
Base-Backbone interact. energy: -0.592
local terms energy: -124.631545
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -30.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -455.420932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.420932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.420932 (E_RNA)
where:
Base-Base interactions energy: -313.476
where: short stacking energy: -150.589
Base-Backbone interact. energy: 0.363
local terms energy: -142.308143
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -40.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -396.666227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.666227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.666227 (E_RNA)
where:
Base-Base interactions energy: -264.707
where: short stacking energy: -114.760
Base-Backbone interact. energy: -3.254
local terms energy: -128.704314
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -31.919
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -363.779353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.779353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.779353 (E_RNA)
where:
Base-Base interactions energy: -246.208
where: short stacking energy: -125.423
Base-Backbone interact. energy: -0.613
local terms energy: -116.958559
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -31.796
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: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -334.162263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.162263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.162263 (E_RNA)
where:
Base-Base interactions energy: -208.185
where: short stacking energy: -97.441
Base-Backbone interact. energy: -0.752
local terms energy: -125.225256
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -28.443
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -262.579157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.579157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.579157 (E_RNA)
where:
Base-Base interactions energy: -167.605
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.818
local terms energy: -94.156109
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -7.940
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: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -252.768462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.768462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.768462 (E_RNA)
where:
Base-Base interactions energy: -150.574
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.267
local terms energy: -101.928302
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -19.371
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: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -261.687121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.687121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.687121 (E_RNA)
where:
Base-Base interactions energy: -161.967
where: short stacking energy: -91.062
Base-Backbone interact. energy: -0.069
local terms energy: -99.650478
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -485.295587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.295587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.295587 (E_RNA)
where:
Base-Base interactions energy: -338.936
where: short stacking energy: -162.718
Base-Backbone interact. energy: -0.307
local terms energy: -146.052245
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -42.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -464.704712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.704712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.704712 (E_RNA)
where:
Base-Base interactions energy: -326.545
where: short stacking energy: -149.786
Base-Backbone interact. energy: 0.599
local terms energy: -138.758248
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -40.514
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: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -450.413150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.413150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.413150 (E_RNA)
where:
Base-Base interactions energy: -311.061
where: short stacking energy: -151.570
Base-Backbone interact. energy: -0.488
local terms energy: -138.864048
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -39.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -439.305091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.305091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.305091 (E_RNA)
where:
Base-Base interactions energy: -305.902
where: short stacking energy: -143.405
Base-Backbone interact. energy: -0.576
local terms energy: -132.827111
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -33.893
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: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -376.921256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.921256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.921256 (E_RNA)
where:
Base-Base interactions energy: -256.509
where: short stacking energy: -124.633
Base-Backbone interact. energy: 0.451
local terms energy: -120.863419
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -362.647675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.647675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.647675 (E_RNA)
where:
Base-Base interactions energy: -246.774
where: short stacking energy: -110.834
Base-Backbone interact. energy: -0.721
local terms energy: -115.153153
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -339.466607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.466607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.466607 (E_RNA)
where:
Base-Base interactions energy: -213.327
where: short stacking energy: -113.135
Base-Backbone interact. energy: -0.729
local terms energy: -125.410677
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -29.811
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: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -279.644916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.644916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.644916 (E_RNA)
where:
Base-Base interactions energy: -185.750
where: short stacking energy: -87.799
Base-Backbone interact. energy: 0.335
local terms energy: -94.229108
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -15.512
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: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -250.827910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.827910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.827910 (E_RNA)
where:
Base-Base interactions energy: -160.212
where: short stacking energy: -86.394
Base-Backbone interact. energy: -0.218
local terms energy: -90.397892
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -273.170383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.170383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.170383 (E_RNA)
where:
Base-Base interactions energy: -182.342
where: short stacking energy: -85.662
Base-Backbone interact. energy: -0.469
local terms energy: -90.359211
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -488.821478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.821478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.821478 (E_RNA)
where:
Base-Base interactions energy: -338.748
where: short stacking energy: -149.386
Base-Backbone interact. energy: -0.052
local terms energy: -150.020941
where:
bonds (distance) C4'-P energy: -30.381
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -39.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -475.027568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.027568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.027568 (E_RNA)
where:
Base-Base interactions energy: -328.062
where: short stacking energy: -153.135
Base-Backbone interact. energy: -0.190
local terms energy: -146.775457
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -44.339
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: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -454.468695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.468695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.468695 (E_RNA)
where:
Base-Base interactions energy: -306.618
where: short stacking energy: -140.299
Base-Backbone interact. energy: -0.553
local terms energy: -147.297450
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -35.795
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: 185
Temperature: 1.050000
Total energy: -446.535536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.535536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.535536 (E_RNA)
where:
Base-Base interactions energy: -306.923
where: short stacking energy: -142.151
Base-Backbone interact. energy: -0.346
local terms energy: -139.267048
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -40.706
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: 185
Temperature: 1.100000
Total energy: -403.995473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.995473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.995473 (E_RNA)
where:
Base-Base interactions energy: -277.520
where: short stacking energy: -137.309
Base-Backbone interact. energy: -0.680
local terms energy: -125.795211
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -34.587
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: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -355.922282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.922282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.922282 (E_RNA)
where:
Base-Base interactions energy: -247.193
where: short stacking energy: -96.754
Base-Backbone interact. energy: 0.283
local terms energy: -109.012369
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -334.052503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.052503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.052503 (E_RNA)
where:
Base-Base interactions energy: -223.123
where: short stacking energy: -108.862
Base-Backbone interact. energy: 2.210
local terms energy: -113.140069
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -23.700
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: 185
Temperature: 1.250000
Total energy: -256.759033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.759033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.759033 (E_RNA)
where:
Base-Base interactions energy: -156.297
where: short stacking energy: -87.152
Base-Backbone interact. energy: -0.302
local terms energy: -100.159823
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -272.942611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.942611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.942611 (E_RNA)
where:
Base-Base interactions energy: -174.057
where: short stacking energy: -68.133
Base-Backbone interact. energy: -1.058
local terms energy: -97.827460
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -21.070
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: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -290.317503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.317503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.317503 (E_RNA)
where:
Base-Base interactions energy: -181.089
where: short stacking energy: -87.247
Base-Backbone interact. energy: -0.935
local terms energy: -108.293838
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -19.713
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: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -479.458681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.458681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.458681 (E_RNA)
where:
Base-Base interactions energy: -334.932
where: short stacking energy: -152.617
Base-Backbone interact. energy: -0.067
local terms energy: -144.459892
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -42.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -473.922707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.922707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.922707 (E_RNA)
where:
Base-Base interactions energy: -334.124
where: short stacking energy: -146.896
Base-Backbone interact. energy: -0.172
local terms energy: -139.626866
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -37.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -440.405953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.405953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.405953 (E_RNA)
where:
Base-Base interactions energy: -296.542
where: short stacking energy: -139.909
Base-Backbone interact. energy: -0.599
local terms energy: -143.265712
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -38.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -443.503819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.503819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.503819 (E_RNA)
where:
Base-Base interactions energy: -315.751
where: short stacking energy: -143.451
Base-Backbone interact. energy: 0.712
local terms energy: -128.464945
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: -37.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -397.265148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.265148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.265148 (E_RNA)
where:
Base-Base interactions energy: -269.452
where: short stacking energy: -136.641
Base-Backbone interact. energy: 1.125
local terms energy: -128.938693
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -34.443
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: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -369.781407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.781407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.781407 (E_RNA)
where:
Base-Base interactions energy: -255.537
where: short stacking energy: -112.105
Base-Backbone interact. energy: -0.462
local terms energy: -113.782739
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -332.356903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.356903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.356903 (E_RNA)
where:
Base-Base interactions energy: -219.036
where: short stacking energy: -108.278
Base-Backbone interact. energy: -0.330
local terms energy: -112.991182
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -24.451
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: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -261.420965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.420965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.420965 (E_RNA)
where:
Base-Base interactions energy: -160.241
where: short stacking energy: -83.254
Base-Backbone interact. energy: -0.554
local terms energy: -100.626155
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -15.614
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -287.293641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.293641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.293641 (E_RNA)
where:
Base-Base interactions energy: -185.352
where: short stacking energy: -86.447
Base-Backbone interact. energy: -0.283
local terms energy: -101.658903
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -17.677
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: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -269.165923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.165923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.165923 (E_RNA)
where:
Base-Base interactions energy: -160.735
where: short stacking energy: -90.671
Base-Backbone interact. energy: -0.119
local terms energy: -108.311862
where:
bonds (distance) C4'-P energy: -23.844
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -480.232819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.232819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.232819 (E_RNA)
where:
Base-Base interactions energy: -324.315
where: short stacking energy: -153.156
Base-Backbone interact. energy: -0.001
local terms energy: -155.917394
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -44.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -455.479841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.479841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.479841 (E_RNA)
where:
Base-Base interactions energy: -311.000
where: short stacking energy: -146.735
Base-Backbone interact. energy: -0.620
local terms energy: -143.860599
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -39.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -458.883707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.883707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.883707 (E_RNA)
where:
Base-Base interactions energy: -321.925
where: short stacking energy: -145.848
Base-Backbone interact. energy: -0.484
local terms energy: -136.474799
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -37.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -438.618721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.618721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.618721 (E_RNA)
where:
Base-Base interactions energy: -307.682
where: short stacking energy: -146.042
Base-Backbone interact. energy: -0.611
local terms energy: -130.325567
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -390.479648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.479648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.479648 (E_RNA)
where:
Base-Base interactions energy: -274.401
where: short stacking energy: -130.176
Base-Backbone interact. energy: -0.587
local terms energy: -115.491527
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -31.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -381.183579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.183579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.183579 (E_RNA)
where:
Base-Base interactions energy: -262.470
where: short stacking energy: -115.207
Base-Backbone interact. energy: -1.254
local terms energy: -117.458818
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -24.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -368.517390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.517390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.517390 (E_RNA)
where:
Base-Base interactions energy: -240.493
where: short stacking energy: -109.934
Base-Backbone interact. energy: -0.147
local terms energy: -127.877442
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -29.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -258.366369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.366369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.366369 (E_RNA)
where:
Base-Base interactions energy: -156.348
where: short stacking energy: -91.076
Base-Backbone interact. energy: -0.312
local terms energy: -101.705933
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -310.373181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.373181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.373181 (E_RNA)
where:
Base-Base interactions energy: -193.484
where: short stacking energy: -74.749
Base-Backbone interact. energy: -0.470
local terms energy: -116.419128
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -246.983257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.983257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.983257 (E_RNA)
where:
Base-Base interactions energy: -157.202
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.349
local terms energy: -89.432668
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -490.206207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.206207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.206207 (E_RNA)
where:
Base-Base interactions energy: -333.287
where: short stacking energy: -160.449
Base-Backbone interact. energy: -0.003
local terms energy: -156.915822
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -44.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -459.856877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.856877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.856877 (E_RNA)
where:
Base-Base interactions energy: -315.596
where: short stacking energy: -150.487
Base-Backbone interact. energy: -0.291
local terms energy: -143.968964
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -38.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -455.277779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.277779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.277779 (E_RNA)
where:
Base-Base interactions energy: -316.841
where: short stacking energy: -141.551
Base-Backbone interact. energy: -0.900
local terms energy: -137.536555
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -427.509534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.509534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.509534 (E_RNA)
where:
Base-Base interactions energy: -293.282
where: short stacking energy: -139.206
Base-Backbone interact. energy: -0.365
local terms energy: -133.862920
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -35.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -397.673792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.673792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.673792 (E_RNA)
where:
Base-Base interactions energy: -274.038
where: short stacking energy: -138.137
Base-Backbone interact. energy: -0.559
local terms energy: -123.077366
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -382.786093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.786093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.786093 (E_RNA)
where:
Base-Base interactions energy: -261.780
where: short stacking energy: -108.868
Base-Backbone interact. energy: -1.427
local terms energy: -119.579102
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -29.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -341.548648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.548648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.548648 (E_RNA)
where:
Base-Base interactions energy: -220.949
where: short stacking energy: -100.053
Base-Backbone interact. energy: -0.924
local terms energy: -119.675986
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -254.985185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.985185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.985185 (E_RNA)
where:
Base-Base interactions energy: -166.586
where: short stacking energy: -86.780
Base-Backbone interact. energy: -1.596
local terms energy: -86.803148
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -16.356
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: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -254.994923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.994923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.994923 (E_RNA)
where:
Base-Base interactions energy: -162.241
where: short stacking energy: -80.379
Base-Backbone interact. energy: -0.735
local terms energy: -92.019276
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -15.733
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: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -274.280078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.280078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.280078 (E_RNA)
where:
Base-Base interactions energy: -181.670
where: short stacking energy: -77.547
Base-Backbone interact. energy: -0.248
local terms energy: -92.361612
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -10.090
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: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -492.736553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.736553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.736553 (E_RNA)
where:
Base-Base interactions energy: -339.769
where: short stacking energy: -161.779
Base-Backbone interact. energy: -0.057
local terms energy: -152.910561
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -47.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -487.331238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.331238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.331238 (E_RNA)
where:
Base-Base interactions energy: -354.317
where: short stacking energy: -144.881
Base-Backbone interact. energy: 1.003
local terms energy: -134.017864
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -39.967
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: 189
Temperature: 1.000000
Total energy: -436.717583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.717583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.717583 (E_RNA)
where:
Base-Base interactions energy: -301.419
where: short stacking energy: -144.677
Base-Backbone interact. energy: -0.057
local terms energy: -135.241370
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -36.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -414.854865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.854865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.854865 (E_RNA)
where:
Base-Base interactions energy: -286.951
where: short stacking energy: -133.237
Base-Backbone interact. energy: 2.684
local terms energy: -130.588253
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -437.886302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.886302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.886302 (E_RNA)
where:
Base-Base interactions energy: -301.544
where: short stacking energy: -146.343
Base-Backbone interact. energy: -0.418
local terms energy: -135.924464
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -36.890
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: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -407.070904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.070904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.070904 (E_RNA)
where:
Base-Base interactions energy: -284.163
where: short stacking energy: -127.750
Base-Backbone interact. energy: -0.351
local terms energy: -122.557294
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -349.542450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.542450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.542450 (E_RNA)
where:
Base-Base interactions energy: -237.100
where: short stacking energy: -104.997
Base-Backbone interact. energy: 0.613
local terms energy: -113.055016
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -24.719
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: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -260.600984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.600984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.600984 (E_RNA)
where:
Base-Base interactions energy: -169.565
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.098
local terms energy: -90.937482
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -10.034
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: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -234.424791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.424791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.424791 (E_RNA)
where:
Base-Base interactions energy: -137.269
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.461
local terms energy: -96.694737
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -27.082
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -229.974219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974219 (E_RNA)
where:
Base-Base interactions energy: -148.514
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.190
local terms energy: -81.269838
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -5.728
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: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -506.925334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.925334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.925334 (E_RNA)
where:
Base-Base interactions energy: -363.383
where: short stacking energy: -156.147
Base-Backbone interact. energy: 0.484
local terms energy: -144.026455
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -38.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -491.649429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.649429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.649429 (E_RNA)
where:
Base-Base interactions energy: -341.797
where: short stacking energy: -158.071
Base-Backbone interact. energy: -0.317
local terms energy: -149.535822
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -47.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -434.189352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.189352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.189352 (E_RNA)
where:
Base-Base interactions energy: -303.835
where: short stacking energy: -133.392
Base-Backbone interact. energy: 0.186
local terms energy: -130.541122
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -32.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -386.837817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.837817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.837817 (E_RNA)
where:
Base-Base interactions energy: -276.421
where: short stacking energy: -132.913
Base-Backbone interact. energy: -0.538
local terms energy: -109.878508
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -441.579897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.579897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.579897 (E_RNA)
where:
Base-Base interactions energy: -314.931
where: short stacking energy: -143.255
Base-Backbone interact. energy: -0.641
local terms energy: -126.008182
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -39.134
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: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -416.739764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.739764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.739764 (E_RNA)
where:
Base-Base interactions energy: -293.877
where: short stacking energy: -119.432
Base-Backbone interact. energy: -0.541
local terms energy: -122.321784
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -355.938130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.938130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.938130 (E_RNA)
where:
Base-Base interactions energy: -239.551
where: short stacking energy: -104.059
Base-Backbone interact. energy: -0.814
local terms energy: -115.573554
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -22.740
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: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -258.983360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.983360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.983360 (E_RNA)
where:
Base-Base interactions energy: -161.564
where: short stacking energy: -94.556
Base-Backbone interact. energy: -0.045
local terms energy: -97.374908
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -250.517915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.517915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.517915 (E_RNA)
where:
Base-Base interactions energy: -167.451
where: short stacking energy: -68.825
Base-Backbone interact. energy: 1.810
local terms energy: -84.877315
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -7.128
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: 190
Temperature: 1.350000
Total energy: -247.557758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.557758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.557758 (E_RNA)
where:
Base-Base interactions energy: -150.315
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.323
local terms energy: -96.919405
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -496.025246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.025246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.025246 (E_RNA)
where:
Base-Base interactions energy: -352.846
where: short stacking energy: -147.373
Base-Backbone interact. energy: -1.000
local terms energy: -142.179778
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -39.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -488.216176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.216176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.216176 (E_RNA)
where:
Base-Base interactions energy: -336.356
where: short stacking energy: -157.317
Base-Backbone interact. energy: -0.001
local terms energy: -151.859007
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -44.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -439.211921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.211921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.211921 (E_RNA)
where:
Base-Base interactions energy: -304.731
where: short stacking energy: -140.510
Base-Backbone interact. energy: -1.902
local terms energy: -132.578700
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -32.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -431.199338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.199338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.199338 (E_RNA)
where:
Base-Base interactions energy: -301.565
where: short stacking energy: -120.655
Base-Backbone interact. energy: -0.274
local terms energy: -129.360197
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -394.391070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.391070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.391070 (E_RNA)
where:
Base-Base interactions energy: -260.926
where: short stacking energy: -108.655
Base-Backbone interact. energy: -1.193
local terms energy: -132.272656
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -420.433813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.433813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.433813 (E_RNA)
where:
Base-Base interactions energy: -297.332
where: short stacking energy: -127.581
Base-Backbone interact. energy: 0.193
local terms energy: -123.295079
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -32.258
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: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -374.862479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.862479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.862479 (E_RNA)
where:
Base-Base interactions energy: -254.970
where: short stacking energy: -119.236
Base-Backbone interact. energy: -1.248
local terms energy: -118.643690
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -14.042
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: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -283.082273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.082273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.082273 (E_RNA)
where:
Base-Base interactions energy: -185.026
where: short stacking energy: -96.827
Base-Backbone interact. energy: -1.064
local terms energy: -96.992567
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -247.989274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.989274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.989274 (E_RNA)
where:
Base-Base interactions energy: -152.844
where: short stacking energy: -79.550
Base-Backbone interact. energy: -1.406
local terms energy: -93.738657
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -272.534386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.534386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.534386 (E_RNA)
where:
Base-Base interactions energy: -170.329
where: short stacking energy: -88.792
Base-Backbone interact. energy: -0.077
local terms energy: -102.128081
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -12.767
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: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -485.891627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.891627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.891627 (E_RNA)
where:
Base-Base interactions energy: -338.235
where: short stacking energy: -158.998
Base-Backbone interact. energy: -0.603
local terms energy: -147.054030
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -44.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -479.095422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.095422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.095422 (E_RNA)
where:
Base-Base interactions energy: -327.901
where: short stacking energy: -142.628
Base-Backbone interact. energy: -0.779
local terms energy: -150.415014
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -41.011
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: 192
Temperature: 1.000000
Total energy: -432.642971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.642971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.642971 (E_RNA)
where:
Base-Base interactions energy: -298.615
where: short stacking energy: -128.356
Base-Backbone interact. energy: -0.998
local terms energy: -133.029487
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -431.833543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.833543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.833543 (E_RNA)
where:
Base-Base interactions energy: -298.178
where: short stacking energy: -134.589
Base-Backbone interact. energy: -0.002
local terms energy: -133.653719
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -38.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -444.179626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.179626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.179626 (E_RNA)
where:
Base-Base interactions energy: -309.412
where: short stacking energy: -136.699
Base-Backbone interact. energy: 1.444
local terms energy: -136.210814
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -42.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -385.193980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.193980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.193980 (E_RNA)
where:
Base-Base interactions energy: -259.790
where: short stacking energy: -124.154
Base-Backbone interact. energy: 0.542
local terms energy: -125.946295
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -36.056
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: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -350.727760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.727760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.727760 (E_RNA)
where:
Base-Base interactions energy: -237.720
where: short stacking energy: -108.959
Base-Backbone interact. energy: -0.433
local terms energy: -112.574724
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -31.584
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -299.006049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.006049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.006049 (E_RNA)
where:
Base-Base interactions energy: -207.099
where: short stacking energy: -84.026
Base-Backbone interact. energy: -0.662
local terms energy: -91.244666
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -279.930390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.930390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.930390 (E_RNA)
where:
Base-Base interactions energy: -178.506
where: short stacking energy: -98.291
Base-Backbone interact. energy: 0.674
local terms energy: -102.097627
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -241.852571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.852571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.852571 (E_RNA)
where:
Base-Base interactions energy: -153.517
where: short stacking energy: -89.582
Base-Backbone interact. energy: 0.052
local terms energy: -88.388284
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -485.731016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.731016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.731016 (E_RNA)
where:
Base-Base interactions energy: -332.571
where: short stacking energy: -159.364
Base-Backbone interact. energy: -0.942
local terms energy: -152.217527
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -461.584614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.584614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.584614 (E_RNA)
where:
Base-Base interactions energy: -324.810
where: short stacking energy: -145.823
Base-Backbone interact. energy: -1.583
local terms energy: -135.191617
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -37.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -461.337869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.337869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.337869 (E_RNA)
where:
Base-Base interactions energy: -326.005
where: short stacking energy: -143.396
Base-Backbone interact. energy: -0.426
local terms energy: -134.906453
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -38.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -457.242644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.242644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.242644 (E_RNA)
where:
Base-Base interactions energy: -319.139
where: short stacking energy: -140.233
Base-Backbone interact. energy: 0.036
local terms energy: -138.139786
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -37.632
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: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -432.640704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.640704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.640704 (E_RNA)
where:
Base-Base interactions energy: -291.154
where: short stacking energy: -142.896
Base-Backbone interact. energy: 0.575
local terms energy: -142.061762
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -39.194
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: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -370.527627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.527627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.527627 (E_RNA)
where:
Base-Base interactions energy: -246.542
where: short stacking energy: -110.192
Base-Backbone interact. energy: -0.664
local terms energy: -123.321210
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -24.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -370.325716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.325716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.325716 (E_RNA)
where:
Base-Base interactions energy: -244.832
where: short stacking energy: -105.302
Base-Backbone interact. energy: -1.927
local terms energy: -123.566174
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -27.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -304.016213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.016213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.016213 (E_RNA)
where:
Base-Base interactions energy: -189.052
where: short stacking energy: -95.589
Base-Backbone interact. energy: -0.392
local terms energy: -114.572464
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -249.418303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.418303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.418303 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -79.692
Base-Backbone interact. energy: -0.934
local terms energy: -87.964673
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -248.341936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.341936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.341936 (E_RNA)
where:
Base-Base interactions energy: -158.214
where: short stacking energy: -97.801
Base-Backbone interact. energy: -0.018
local terms energy: -90.109960
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -488.152696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.152696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.152696 (E_RNA)
where:
Base-Base interactions energy: -332.180
where: short stacking energy: -159.595
Base-Backbone interact. energy: 0.400
local terms energy: -156.372031
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -31.925
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -45.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -457.713136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.713136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.713136 (E_RNA)
where:
Base-Base interactions energy: -314.776
where: short stacking energy: -140.908
Base-Backbone interact. energy: -0.500
local terms energy: -142.437127
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -37.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -459.802058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.802058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.802058 (E_RNA)
where:
Base-Base interactions energy: -311.340
where: short stacking energy: -151.858
Base-Backbone interact. energy: -1.025
local terms energy: -147.436371
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -39.390
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: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -443.246854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.246854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.246854 (E_RNA)
where:
Base-Base interactions energy: -314.786
where: short stacking energy: -141.585
Base-Backbone interact. energy: -0.026
local terms energy: -128.434188
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -35.780
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: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -406.452044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.452044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.452044 (E_RNA)
where:
Base-Base interactions energy: -278.205
where: short stacking energy: -130.638
Base-Backbone interact. energy: -0.296
local terms energy: -127.951079
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -347.000448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.000448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.000448 (E_RNA)
where:
Base-Base interactions energy: -241.183
where: short stacking energy: -104.513
Base-Backbone interact. energy: 0.433
local terms energy: -106.250912
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -373.068015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.068015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.068015 (E_RNA)
where:
Base-Base interactions energy: -237.334
where: short stacking energy: -119.475
Base-Backbone interact. energy: -0.831
local terms energy: -134.902544
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -258.279744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.279744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.279744 (E_RNA)
where:
Base-Base interactions energy: -152.155
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.682
local terms energy: -105.442472
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -241.532406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.532406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.532406 (E_RNA)
where:
Base-Base interactions energy: -151.902
where: short stacking energy: -81.988
Base-Backbone interact. energy: -0.436
local terms energy: -89.193427
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -12.426
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: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -227.407180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407180 (E_RNA)
where:
Base-Base interactions energy: -130.566
where: short stacking energy: -57.287
Base-Backbone interact. energy: -0.848
local terms energy: -95.993064
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -483.044363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.044363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.044363 (E_RNA)
where:
Base-Base interactions energy: -331.493
where: short stacking energy: -141.403
Base-Backbone interact. energy: 0.379
local terms energy: -151.930451
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -39.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -466.032734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.032734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.032734 (E_RNA)
where:
Base-Base interactions energy: -332.703
where: short stacking energy: -137.745
Base-Backbone interact. energy: 1.987
local terms energy: -135.316350
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -36.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -446.067295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.067295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.067295 (E_RNA)
where:
Base-Base interactions energy: -306.887
where: short stacking energy: -133.165
Base-Backbone interact. energy: 0.230
local terms energy: -139.409992
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -35.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -456.895849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.895849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.895849 (E_RNA)
where:
Base-Base interactions energy: -315.465
where: short stacking energy: -137.456
Base-Backbone interact. energy: -0.467
local terms energy: -140.964736
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -416.872610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.872610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.872610 (E_RNA)
where:
Base-Base interactions energy: -283.156
where: short stacking energy: -123.574
Base-Backbone interact. energy: -0.573
local terms energy: -133.143928
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -28.536
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -36.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -364.327548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.327548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.327548 (E_RNA)
where:
Base-Base interactions energy: -244.635
where: short stacking energy: -107.489
Base-Backbone interact. energy: 1.823
local terms energy: -121.515220
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -28.352
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: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -332.055370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.055370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.055370 (E_RNA)
where:
Base-Base interactions energy: -217.438
where: short stacking energy: -96.980
Base-Backbone interact. energy: -0.521
local terms energy: -114.096308
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -279.728405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.728405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.728405 (E_RNA)
where:
Base-Base interactions energy: -176.998
where: short stacking energy: -89.250
Base-Backbone interact. energy: -0.250
local terms energy: -102.479701
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -264.681861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.681861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.681861 (E_RNA)
where:
Base-Base interactions energy: -167.365
where: short stacking energy: -95.045
Base-Backbone interact. energy: 0.074
local terms energy: -97.390743
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -18.361
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: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -200.062940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.062940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.062940 (E_RNA)
where:
Base-Base interactions energy: -120.772
where: short stacking energy: -54.465
Base-Backbone interact. energy: -0.469
local terms energy: -78.821971
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -481.347461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.347461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.347461 (E_RNA)
where:
Base-Base interactions energy: -333.970
where: short stacking energy: -154.584
Base-Backbone interact. energy: 1.495
local terms energy: -148.872205
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -41.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -463.252808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.252808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.252808 (E_RNA)
where:
Base-Base interactions energy: -320.800
where: short stacking energy: -137.019
Base-Backbone interact. energy: -0.381
local terms energy: -142.071617
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -451.691949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.691949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.691949 (E_RNA)
where:
Base-Base interactions energy: -323.578
where: short stacking energy: -141.711
Base-Backbone interact. energy: -0.018
local terms energy: -128.095815
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -437.049534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.049534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.049534 (E_RNA)
where:
Base-Base interactions energy: -299.692
where: short stacking energy: -137.885
Base-Backbone interact. energy: 0.383
local terms energy: -137.740954
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -409.128908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.128908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.128908 (E_RNA)
where:
Base-Base interactions energy: -271.796
where: short stacking energy: -131.178
Base-Backbone interact. energy: 0.582
local terms energy: -137.915114
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -35.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -358.565922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.565922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.565922 (E_RNA)
where:
Base-Base interactions energy: -244.651
where: short stacking energy: -103.690
Base-Backbone interact. energy: -0.496
local terms energy: -113.418872
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -308.734256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.734256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.734256 (E_RNA)
where:
Base-Base interactions energy: -196.594
where: short stacking energy: -90.844
Base-Backbone interact. energy: -0.279
local terms energy: -111.860685
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -15.898
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: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -270.184198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.184198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.184198 (E_RNA)
where:
Base-Base interactions energy: -183.587
where: short stacking energy: -112.320
Base-Backbone interact. energy: -0.109
local terms energy: -86.488030
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -208.067535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.067535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.067535 (E_RNA)
where:
Base-Base interactions energy: -111.322
where: short stacking energy: -66.021
Base-Backbone interact. energy: -3.114
local terms energy: -93.631860
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -12.357
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: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -249.810490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.810490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.810490 (E_RNA)
where:
Base-Base interactions energy: -158.377
where: short stacking energy: -65.269
Base-Backbone interact. energy: 0.905
local terms energy: -92.338155
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -8.110
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: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -485.601838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.601838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.601838 (E_RNA)
where:
Base-Base interactions energy: -331.565
where: short stacking energy: -152.742
Base-Backbone interact. energy: -0.046
local terms energy: -153.991114
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -44.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -465.423604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.423604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.423604 (E_RNA)
where:
Base-Base interactions energy: -321.768
where: short stacking energy: -137.733
Base-Backbone interact. energy: -1.020
local terms energy: -142.635619
where:
bonds (distance) C4'-P energy: -26.607
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -38.105
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: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -461.915789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.915789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.915789 (E_RNA)
where:
Base-Base interactions energy: -325.815
where: short stacking energy: -149.957
Base-Backbone interact. energy: 0.289
local terms energy: -136.390210
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -36.689
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: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -438.640833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.640833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.640833 (E_RNA)
where:
Base-Base interactions energy: -307.748
where: short stacking energy: -132.554
Base-Backbone interact. energy: 4.025
local terms energy: -134.917655
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -31.984
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -33.422
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: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -416.136908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.136908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.136908 (E_RNA)
where:
Base-Base interactions energy: -287.211
where: short stacking energy: -122.407
Base-Backbone interact. energy: -0.153
local terms energy: -128.773239
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -31.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -375.195618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.195618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.195618 (E_RNA)
where:
Base-Base interactions energy: -255.946
where: short stacking energy: -111.943
Base-Backbone interact. energy: -0.510
local terms energy: -118.739163
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -293.357642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.357642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.357642 (E_RNA)
where:
Base-Base interactions energy: -191.732
where: short stacking energy: -106.972
Base-Backbone interact. energy: -0.241
local terms energy: -101.384575
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -17.947
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: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -213.776198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.776198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.776198 (E_RNA)
where:
Base-Base interactions energy: -122.036
where: short stacking energy: -71.357
Base-Backbone interact. energy: 0.918
local terms energy: -92.658752
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -269.992962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.992962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.992962 (E_RNA)
where:
Base-Base interactions energy: -175.644
where: short stacking energy: -96.333
Base-Backbone interact. energy: -0.577
local terms energy: -93.771600
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -231.410062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.410062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.410062 (E_RNA)
where:
Base-Base interactions energy: -153.971
where: short stacking energy: -78.565
Base-Backbone interact. energy: -0.384
local terms energy: -77.054652
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: 0.491
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: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -486.829419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.829419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.829419 (E_RNA)
where:
Base-Base interactions energy: -337.667
where: short stacking energy: -158.028
Base-Backbone interact. energy: -0.445
local terms energy: -148.717749
where:
bonds (distance) C4'-P energy: -28.086
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -466.754425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.754425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.754425 (E_RNA)
where:
Base-Base interactions energy: -324.414
where: short stacking energy: -142.761
Base-Backbone interact. energy: -0.663
local terms energy: -141.677556
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -39.099
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: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -462.260111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.260111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.260111 (E_RNA)
where:
Base-Base interactions energy: -326.300
where: short stacking energy: -138.648
Base-Backbone interact. energy: -0.982
local terms energy: -134.978150
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -34.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -438.778024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.778024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.778024 (E_RNA)
where:
Base-Base interactions energy: -317.834
where: short stacking energy: -132.008
Base-Backbone interact. energy: -1.647
local terms energy: -119.297332
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -39.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -421.713236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.713236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.713236 (E_RNA)
where:
Base-Base interactions energy: -294.891
where: short stacking energy: -130.932
Base-Backbone interact. energy: -0.741
local terms energy: -126.081770
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -388.971246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.971246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.971246 (E_RNA)
where:
Base-Base interactions energy: -270.718
where: short stacking energy: -125.770
Base-Backbone interact. energy: 1.476
local terms energy: -119.729048
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -29.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -293.997817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.997817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.997817 (E_RNA)
where:
Base-Base interactions energy: -185.733
where: short stacking energy: -95.818
Base-Backbone interact. energy: -0.465
local terms energy: -107.799409
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -28.272
flat angles P-C4'-P energy: -13.825
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: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -219.414662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.414662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.414662 (E_RNA)
where:
Base-Base interactions energy: -135.701
where: short stacking energy: -75.584
Base-Backbone interact. energy: 1.026
local terms energy: -84.739867
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -228.430118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.430118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.430118 (E_RNA)
where:
Base-Base interactions energy: -148.169
where: short stacking energy: -70.723
Base-Backbone interact. energy: -0.475
local terms energy: -79.787083
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -6.506
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: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -252.584353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.584353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.584353 (E_RNA)
where:
Base-Base interactions energy: -146.174
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.614
local terms energy: -105.796026
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -11.258
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: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -489.312037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.312037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.312037 (E_RNA)
where:
Base-Base interactions energy: -343.052
where: short stacking energy: -162.472
Base-Backbone interact. energy: -0.196
local terms energy: -146.064076
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -45.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -464.315678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.315678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.315678 (E_RNA)
where:
Base-Base interactions energy: -314.984
where: short stacking energy: -154.128
Base-Backbone interact. energy: -0.444
local terms energy: -148.887526
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -465.210460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.210460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.210460 (E_RNA)
where:
Base-Base interactions energy: -319.932
where: short stacking energy: -150.432
Base-Backbone interact. energy: -0.007
local terms energy: -145.270841
where:
bonds (distance) C4'-P energy: -26.771
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -40.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -435.381287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.381287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.381287 (E_RNA)
where:
Base-Base interactions energy: -306.555
where: short stacking energy: -143.339
Base-Backbone interact. energy: -0.689
local terms energy: -128.137277
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -25.900
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -36.490
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: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -417.908802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.908802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.908802 (E_RNA)
where:
Base-Base interactions energy: -294.301
where: short stacking energy: -132.174
Base-Backbone interact. energy: -0.255
local terms energy: -123.352526
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -33.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -369.830010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.830010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.830010 (E_RNA)
where:
Base-Base interactions energy: -238.986
where: short stacking energy: -117.717
Base-Backbone interact. energy: -0.503
local terms energy: -130.340651
where:
bonds (distance) C4'-P energy: -24.359
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -32.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -330.943038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.943038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.943038 (E_RNA)
where:
Base-Base interactions energy: -219.115
where: short stacking energy: -100.626
Base-Backbone interact. energy: -0.159
local terms energy: -111.668322
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -19.631
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: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -306.662667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.662667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.662667 (E_RNA)
where:
Base-Base interactions energy: -214.999
where: short stacking energy: -94.891
Base-Backbone interact. energy: -1.691
local terms energy: -89.972235
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -13.320
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: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -209.931784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.931784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.931784 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.565
local terms energy: -89.308682
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -242.633279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.633279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.633279 (E_RNA)
where:
Base-Base interactions energy: -149.352
where: short stacking energy: -76.561
Base-Backbone interact. energy: -0.605
local terms energy: -92.676916
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -14.066
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: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -472.611255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.611255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.611255 (E_RNA)
where:
Base-Base interactions energy: -335.050
where: short stacking energy: -147.381
Base-Backbone interact. energy: -0.913
local terms energy: -136.647676
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -39.858
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: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -469.643155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.643155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.643155 (E_RNA)
where:
Base-Base interactions energy: -322.861
where: short stacking energy: -145.571
Base-Backbone interact. energy: -1.274
local terms energy: -145.508637
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -41.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -463.639331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.639331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.639331 (E_RNA)
where:
Base-Base interactions energy: -318.122
where: short stacking energy: -137.551
Base-Backbone interact. energy: -1.808
local terms energy: -143.709216
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -36.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -402.709457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.709457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.709457 (E_RNA)
where:
Base-Base interactions energy: -284.969
where: short stacking energy: -128.648
Base-Backbone interact. energy: -0.808
local terms energy: -116.932352
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -28.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -436.578829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.578829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.578829 (E_RNA)
where:
Base-Base interactions energy: -293.577
where: short stacking energy: -131.283
Base-Backbone interact. energy: -0.156
local terms energy: -142.846011
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -36.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -369.638493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.638493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.638493 (E_RNA)
where:
Base-Base interactions energy: -248.933
where: short stacking energy: -112.119
Base-Backbone interact. energy: -0.830
local terms energy: -119.874872
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -353.959328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.959328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.959328 (E_RNA)
where:
Base-Base interactions energy: -250.805
where: short stacking energy: -113.775
Base-Backbone interact. energy: -0.534
local terms energy: -102.619907
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -281.549943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.549943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.549943 (E_RNA)
where:
Base-Base interactions energy: -177.529
where: short stacking energy: -83.888
Base-Backbone interact. energy: -1.394
local terms energy: -102.627129
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -10.908
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: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -275.362890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.362890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.362890 (E_RNA)
where:
Base-Base interactions energy: -171.610
where: short stacking energy: -73.162
Base-Backbone interact. energy: -2.012
local terms energy: -101.740294
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -8.355
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: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -200.843395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.843395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.843395 (E_RNA)
where:
Base-Base interactions energy: -121.675
where: short stacking energy: -55.131
Base-Backbone interact. energy: 1.973
local terms energy: -81.141647
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -473.800925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.800925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.800925 (E_RNA)
where:
Base-Base interactions energy: -327.871
where: short stacking energy: -147.319
Base-Backbone interact. energy: -0.405
local terms energy: -145.524694
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -37.674
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: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -479.302706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.302706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.302706 (E_RNA)
where:
Base-Base interactions energy: -334.828
where: short stacking energy: -144.289
Base-Backbone interact. energy: -1.644
local terms energy: -142.831018
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -38.659
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: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -473.543924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.543924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.543924 (E_RNA)
where:
Base-Base interactions energy: -325.100
where: short stacking energy: -153.200
Base-Backbone interact. energy: -0.001
local terms energy: -148.443674
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -46.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -430.604449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.604449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.604449 (E_RNA)
where:
Base-Base interactions energy: -295.988
where: short stacking energy: -134.936
Base-Backbone interact. energy: -0.577
local terms energy: -134.039895
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -27.484
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -39.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -370.980711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.980711 (E_RNA)
where:
Base-Base interactions energy: -243.506
where: short stacking energy: -121.707
Base-Backbone interact. energy: 1.923
local terms energy: -129.397763
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -30.408
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -31.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -373.131724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.131724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.131724 (E_RNA)
where:
Base-Base interactions energy: -243.591
where: short stacking energy: -121.773
Base-Backbone interact. energy: -0.445
local terms energy: -129.095716
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -29.151
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: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -377.632663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.632663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.632663 (E_RNA)
where:
Base-Base interactions energy: -271.478
where: short stacking energy: -98.831
Base-Backbone interact. energy: -0.348
local terms energy: -105.806628
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -281.034391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.034391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.034391 (E_RNA)
where:
Base-Base interactions energy: -192.261
where: short stacking energy: -92.700
Base-Backbone interact. energy: -1.797
local terms energy: -86.976176
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -262.917414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.917414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.917414 (E_RNA)
where:
Base-Base interactions energy: -159.671
where: short stacking energy: -71.925
Base-Backbone interact. energy: 0.717
local terms energy: -103.962732
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -211.115089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115089 (E_RNA)
where:
Base-Base interactions energy: -118.121
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.014
local terms energy: -92.980505
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -469.698640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.698640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.698640 (E_RNA)
where:
Base-Base interactions energy: -324.800
where: short stacking energy: -143.261
Base-Backbone interact. energy: 0.760
local terms energy: -145.658661
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -39.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -456.073884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.073884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.073884 (E_RNA)
where:
Base-Base interactions energy: -318.278
where: short stacking energy: -141.096
Base-Backbone interact. energy: -1.745
local terms energy: -136.050890
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -33.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -451.013299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.013299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.013299 (E_RNA)
where:
Base-Base interactions energy: -311.660
where: short stacking energy: -144.901
Base-Backbone interact. energy: -0.259
local terms energy: -139.094724
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: -38.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -459.293605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.293605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.293605 (E_RNA)
where:
Base-Base interactions energy: -311.188
where: short stacking energy: -144.953
Base-Backbone interact. energy: -0.797
local terms energy: -147.309069
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -389.987722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.987722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.987722 (E_RNA)
where:
Base-Base interactions energy: -262.246
where: short stacking energy: -119.023
Base-Backbone interact. energy: -0.348
local terms energy: -127.394259
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -29.538
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: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -373.943433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.943433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.943433 (E_RNA)
where:
Base-Base interactions energy: -249.932
where: short stacking energy: -129.335
Base-Backbone interact. energy: -0.730
local terms energy: -123.281380
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -29.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -373.043631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.043631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.043631 (E_RNA)
where:
Base-Base interactions energy: -250.308
where: short stacking energy: -110.932
Base-Backbone interact. energy: -0.317
local terms energy: -122.417727
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -253.426531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.426531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.426531 (E_RNA)
where:
Base-Base interactions energy: -161.993
where: short stacking energy: -77.018
Base-Backbone interact. energy: -0.273
local terms energy: -91.160525
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -282.698443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.698443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.698443 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -87.432
Base-Backbone interact. energy: -0.976
local terms energy: -112.518348
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -218.798666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.798666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.798666 (E_RNA)
where:
Base-Base interactions energy: -122.384
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.209
local terms energy: -96.205397
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -12.781
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: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -474.626279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.626279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.626279 (E_RNA)
where:
Base-Base interactions energy: -332.617
where: short stacking energy: -152.438
Base-Backbone interact. energy: -0.651
local terms energy: -141.358183
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -40.945
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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -450.686237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.686237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.686237 (E_RNA)
where:
Base-Base interactions energy: -310.860
where: short stacking energy: -123.979
Base-Backbone interact. energy: -0.457
local terms energy: -139.369119
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -29.418
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -33.786
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: 203
Temperature: 1.000000
Total energy: -446.272670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.272670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.272670 (E_RNA)
where:
Base-Base interactions energy: -301.613
where: short stacking energy: -139.931
Base-Backbone interact. energy: -1.285
local terms energy: -143.374056
where:
bonds (distance) C4'-P energy: -29.068
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -41.675
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: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -457.022511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.022511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.022511 (E_RNA)
where:
Base-Base interactions energy: -314.348
where: short stacking energy: -139.619
Base-Backbone interact. energy: -0.912
local terms energy: -141.762235
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -40.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -388.987048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.987048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.987048 (E_RNA)
where:
Base-Base interactions energy: -265.004
where: short stacking energy: -124.568
Base-Backbone interact. energy: 0.282
local terms energy: -124.264594
where:
bonds (distance) C4'-P energy: -25.101
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -26.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -386.554513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.554513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.554513 (E_RNA)
where:
Base-Base interactions energy: -249.647
where: short stacking energy: -117.603
Base-Backbone interact. energy: -0.404
local terms energy: -136.503524
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -34.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -349.835755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.835755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.835755 (E_RNA)
where:
Base-Base interactions energy: -234.715
where: short stacking energy: -116.356
Base-Backbone interact. energy: -0.448
local terms energy: -114.672859
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -287.945757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.945757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.945757 (E_RNA)
where:
Base-Base interactions energy: -183.673
where: short stacking energy: -90.333
Base-Backbone interact. energy: -0.319
local terms energy: -103.954350
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -283.906450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.906450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.906450 (E_RNA)
where:
Base-Base interactions energy: -168.725
where: short stacking energy: -82.633
Base-Backbone interact. energy: -1.990
local terms energy: -113.191761
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -14.710
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: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -189.604111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.604111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.604111 (E_RNA)
where:
Base-Base interactions energy: -100.521
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.365
local terms energy: -88.718060
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -470.557239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.557239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.557239 (E_RNA)
where:
Base-Base interactions energy: -325.690
where: short stacking energy: -142.299
Base-Backbone interact. energy: -0.356
local terms energy: -144.511076
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -39.767
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: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -480.623523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.623523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.623523 (E_RNA)
where:
Base-Base interactions energy: -328.164
where: short stacking energy: -149.407
Base-Backbone interact. energy: -0.112
local terms energy: -152.347775
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -30.644
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -40.665
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: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -460.018200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.018200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.018200 (E_RNA)
where:
Base-Base interactions energy: -319.063
where: short stacking energy: -144.358
Base-Backbone interact. energy: -0.436
local terms energy: -140.519514
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -39.041
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: 204
Temperature: 1.050000
Total energy: -441.546764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.546764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.546764 (E_RNA)
where:
Base-Base interactions energy: -299.955
where: short stacking energy: -132.678
Base-Backbone interact. energy: -1.177
local terms energy: -140.414848
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -40.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -380.188557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.188557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.188557 (E_RNA)
where:
Base-Base interactions energy: -256.267
where: short stacking energy: -118.882
Base-Backbone interact. energy: -0.189
local terms energy: -123.732125
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -28.841
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -27.272
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: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -388.694996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.694996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.694996 (E_RNA)
where:
Base-Base interactions energy: -262.618
where: short stacking energy: -121.932
Base-Backbone interact. energy: -1.716
local terms energy: -124.361234
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -27.702
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: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -354.107800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.107800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.107800 (E_RNA)
where:
Base-Base interactions energy: -233.259
where: short stacking energy: -118.598
Base-Backbone interact. energy: -1.582
local terms energy: -119.266873
where:
bonds (distance) C4'-P energy: -29.881
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -282.016886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.016886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.016886 (E_RNA)
where:
Base-Base interactions energy: -179.088
where: short stacking energy: -92.034
Base-Backbone interact. energy: -0.623
local terms energy: -102.305566
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -259.453884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.453884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.453884 (E_RNA)
where:
Base-Base interactions energy: -172.773
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.425
local terms energy: -86.255519
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -15.116
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: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -195.908847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.908847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.908847 (E_RNA)
where:
Base-Base interactions energy: -114.737
where: short stacking energy: -64.482
Base-Backbone interact. energy: 0.571
local terms energy: -81.743181
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -483.701119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.701119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.701119 (E_RNA)
where:
Base-Base interactions energy: -335.414
where: short stacking energy: -150.245
Base-Backbone interact. energy: -0.358
local terms energy: -147.929243
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -40.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -461.132388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.132388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.132388 (E_RNA)
where:
Base-Base interactions energy: -325.022
where: short stacking energy: -141.634
Base-Backbone interact. energy: -0.015
local terms energy: -136.094776
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -37.676
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: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -455.616727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.616727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.616727 (E_RNA)
where:
Base-Base interactions energy: -314.856
where: short stacking energy: -136.487
Base-Backbone interact. energy: -0.058
local terms energy: -140.702772
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -42.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -442.114949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.114949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.114949 (E_RNA)
where:
Base-Base interactions energy: -296.016
where: short stacking energy: -130.320
Base-Backbone interact. energy: -0.829
local terms energy: -145.270089
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -395.235581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.235581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.235581 (E_RNA)
where:
Base-Base interactions energy: -278.889
where: short stacking energy: -137.148
Base-Backbone interact. energy: -0.777
local terms energy: -115.570047
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -33.585
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -367.753703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.753703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.753703 (E_RNA)
where:
Base-Base interactions energy: -247.455
where: short stacking energy: -121.565
Base-Backbone interact. energy: 0.033
local terms energy: -120.331698
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -34.466
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: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -376.991813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.991813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.991813 (E_RNA)
where:
Base-Base interactions energy: -259.404
where: short stacking energy: -131.915
Base-Backbone interact. energy: -0.003
local terms energy: -117.584094
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -31.232
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: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -260.311340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.311340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.311340 (E_RNA)
where:
Base-Base interactions energy: -159.155
where: short stacking energy: -73.516
Base-Backbone interact. energy: 1.042
local terms energy: -102.197679
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -13.382
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -281.153978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.153978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.153978 (E_RNA)
where:
Base-Base interactions energy: -184.262
where: short stacking energy: -87.546
Base-Backbone interact. energy: -0.607
local terms energy: -96.285642
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -20.733
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: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -185.700551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.700551 (E_RNA)
where:
Base-Base interactions energy: -103.751
where: short stacking energy: -56.225
Base-Backbone interact. energy: -1.233
local terms energy: -80.716105
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -480.601030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.601030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.601030 (E_RNA)
where:
Base-Base interactions energy: -323.572
where: short stacking energy: -143.678
Base-Backbone interact. energy: -0.682
local terms energy: -156.346546
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -41.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -476.606158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.606158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.606158 (E_RNA)
where:
Base-Base interactions energy: -330.149
where: short stacking energy: -142.869
Base-Backbone interact. energy: -0.723
local terms energy: -145.733740
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -41.226
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -450.809982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.809982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.809982 (E_RNA)
where:
Base-Base interactions energy: -316.215
where: short stacking energy: -134.855
Base-Backbone interact. energy: -1.272
local terms energy: -133.323596
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -34.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -455.814069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.814069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.814069 (E_RNA)
where:
Base-Base interactions energy: -313.503
where: short stacking energy: -139.807
Base-Backbone interact. energy: -0.534
local terms energy: -141.777150
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -38.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -383.802921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.802921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.802921 (E_RNA)
where:
Base-Base interactions energy: -254.213
where: short stacking energy: -122.029
Base-Backbone interact. energy: -0.078
local terms energy: -129.512367
where:
bonds (distance) C4'-P energy: -27.341
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -30.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -365.299914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.299914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.299914 (E_RNA)
where:
Base-Base interactions energy: -238.347
where: short stacking energy: -109.184
Base-Backbone interact. energy: -3.223
local terms energy: -123.729532
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -27.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -377.145505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.145505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.145505 (E_RNA)
where:
Base-Base interactions energy: -253.928
where: short stacking energy: -136.106
Base-Backbone interact. energy: 0.744
local terms energy: -123.961880
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -29.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -281.608942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.608942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.608942 (E_RNA)
where:
Base-Base interactions energy: -174.850
where: short stacking energy: -85.393
Base-Backbone interact. energy: -0.864
local terms energy: -105.894838
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -220.509952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.509952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.509952 (E_RNA)
where:
Base-Base interactions energy: -128.085
where: short stacking energy: -79.972
Base-Backbone interact. energy: -0.132
local terms energy: -92.292982
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -16.902
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -263.887042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.887042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.887042 (E_RNA)
where:
Base-Base interactions energy: -151.359
where: short stacking energy: -72.219
Base-Backbone interact. energy: -0.708
local terms energy: -111.820529
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -485.383898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.383898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.383898 (E_RNA)
where:
Base-Base interactions energy: -342.704
where: short stacking energy: -149.674
Base-Backbone interact. energy: -0.513
local terms energy: -142.166717
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -39.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -478.486847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.486847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.486847 (E_RNA)
where:
Base-Base interactions energy: -323.328
where: short stacking energy: -159.196
Base-Backbone interact. energy: -0.016
local terms energy: -155.142673
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -43.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -461.014133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.014133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.014133 (E_RNA)
where:
Base-Base interactions energy: -317.588
where: short stacking energy: -140.801
Base-Backbone interact. energy: -0.565
local terms energy: -142.861064
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -40.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -450.785840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.785840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.785840 (E_RNA)
where:
Base-Base interactions energy: -314.273
where: short stacking energy: -148.640
Base-Backbone interact. energy: -0.243
local terms energy: -136.270430
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -37.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -415.565852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.565852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.565852 (E_RNA)
where:
Base-Base interactions energy: -285.300
where: short stacking energy: -130.292
Base-Backbone interact. energy: -0.730
local terms energy: -129.536047
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -382.639661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.639661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.639661 (E_RNA)
where:
Base-Base interactions energy: -263.218
where: short stacking energy: -119.305
Base-Backbone interact. energy: -0.401
local terms energy: -119.020509
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -25.869
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: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -348.492217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.492217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.492217 (E_RNA)
where:
Base-Base interactions energy: -230.974
where: short stacking energy: -101.354
Base-Backbone interact. energy: -1.691
local terms energy: -115.827155
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -282.921022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.921022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.921022 (E_RNA)
where:
Base-Base interactions energy: -185.432
where: short stacking energy: -98.031
Base-Backbone interact. energy: -1.357
local terms energy: -96.132123
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -13.633
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: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -203.150093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.150093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.150093 (E_RNA)
where:
Base-Base interactions energy: -113.262
where: short stacking energy: -58.390
Base-Backbone interact. energy: 0.188
local terms energy: -90.076127
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -256.991633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.991633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.991633 (E_RNA)
where:
Base-Base interactions energy: -164.697
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.497
local terms energy: -91.797830
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -483.342081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.342081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.342081 (E_RNA)
where:
Base-Base interactions energy: -331.135
where: short stacking energy: -158.760
Base-Backbone interact. energy: -0.011
local terms energy: -152.195765
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -25.468
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -43.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -478.425743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.425743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.425743 (E_RNA)
where:
Base-Base interactions energy: -353.695
where: short stacking energy: -150.781
Base-Backbone interact. energy: -0.267
local terms energy: -124.464283
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -37.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -461.361489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.361489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.361489 (E_RNA)
where:
Base-Base interactions energy: -316.169
where: short stacking energy: -148.931
Base-Backbone interact. energy: 0.057
local terms energy: -145.249362
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -38.976
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: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -442.172625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.172625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.172625 (E_RNA)
where:
Base-Base interactions energy: -313.928
where: short stacking energy: -137.024
Base-Backbone interact. energy: -0.195
local terms energy: -128.048715
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -35.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -388.072183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.072183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.072183 (E_RNA)
where:
Base-Base interactions energy: -267.702
where: short stacking energy: -115.891
Base-Backbone interact. energy: -0.107
local terms energy: -120.262762
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -19.422
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: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -386.716263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.716263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.716263 (E_RNA)
where:
Base-Base interactions energy: -262.872
where: short stacking energy: -125.765
Base-Backbone interact. energy: 0.452
local terms energy: -124.296378
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -28.240
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: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -346.075815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.075815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.075815 (E_RNA)
where:
Base-Base interactions energy: -246.768
where: short stacking energy: -105.274
Base-Backbone interact. energy: -0.303
local terms energy: -99.005101
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -286.597734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.597734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.597734 (E_RNA)
where:
Base-Base interactions energy: -189.625
where: short stacking energy: -75.553
Base-Backbone interact. energy: -0.797
local terms energy: -96.175633
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -254.266213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.266213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.266213 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -78.811
Base-Backbone interact. energy: 0.518
local terms energy: -101.078730
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -187.834567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.834567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.834567 (E_RNA)
where:
Base-Base interactions energy: -113.471
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.330
local terms energy: -74.033500
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -25.386
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -0.017
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: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -483.290495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.290495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.290495 (E_RNA)
where:
Base-Base interactions energy: -327.422
where: short stacking energy: -150.430
Base-Backbone interact. energy: -0.126
local terms energy: -155.742788
where:
bonds (distance) C4'-P energy: -31.524
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -44.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -481.902882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.902882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.902882 (E_RNA)
where:
Base-Base interactions energy: -344.198
where: short stacking energy: -149.967
Base-Backbone interact. energy: -1.045
local terms energy: -136.660113
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -29.171
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -35.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -452.708293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.708293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.708293 (E_RNA)
where:
Base-Base interactions energy: -317.574
where: short stacking energy: -144.808
Base-Backbone interact. energy: -0.538
local terms energy: -134.595857
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -35.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -455.049093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.049093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.049093 (E_RNA)
where:
Base-Base interactions energy: -315.504
where: short stacking energy: -136.719
Base-Backbone interact. energy: -0.441
local terms energy: -139.104877
where:
bonds (distance) C4'-P energy: -30.078
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -34.917
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: 209
Temperature: 1.100000
Total energy: -391.839561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.839561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.839561 (E_RNA)
where:
Base-Base interactions energy: -279.256
where: short stacking energy: -122.470
Base-Backbone interact. energy: -1.268
local terms energy: -111.315618
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -17.283
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: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -359.974750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.974750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.974750 (E_RNA)
where:
Base-Base interactions energy: -241.048
where: short stacking energy: -111.603
Base-Backbone interact. energy: -1.110
local terms energy: -117.817385
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -334.932537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.932537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.932537 (E_RNA)
where:
Base-Base interactions energy: -228.914
where: short stacking energy: -107.614
Base-Backbone interact. energy: -0.844
local terms energy: -105.173721
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -24.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -274.584232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.584232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.584232 (E_RNA)
where:
Base-Base interactions energy: -175.696
where: short stacking energy: -84.287
Base-Backbone interact. energy: -0.615
local terms energy: -98.272942
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -295.536197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.536197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.536197 (E_RNA)
where:
Base-Base interactions energy: -197.500
where: short stacking energy: -82.646
Base-Backbone interact. energy: 2.383
local terms energy: -100.419079
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -197.272195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.272195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.272195 (E_RNA)
where:
Base-Base interactions energy: -124.243
where: short stacking energy: -65.386
Base-Backbone interact. energy: -0.881
local terms energy: -72.148742
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -487.357312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.357312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.357312 (E_RNA)
where:
Base-Base interactions energy: -345.144
where: short stacking energy: -143.859
Base-Backbone interact. energy: -0.959
local terms energy: -141.254559
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -30.533
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -38.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -473.980703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.980703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.980703 (E_RNA)
where:
Base-Base interactions energy: -327.187
where: short stacking energy: -151.299
Base-Backbone interact. energy: -0.020
local terms energy: -146.773805
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -43.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -445.911518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.911518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.911518 (E_RNA)
where:
Base-Base interactions energy: -312.170
where: short stacking energy: -137.233
Base-Backbone interact. energy: -0.041
local terms energy: -133.700738
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -27.966
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -38.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -460.361095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.361095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.361095 (E_RNA)
where:
Base-Base interactions energy: -320.301
where: short stacking energy: -139.311
Base-Backbone interact. energy: -1.035
local terms energy: -139.025541
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -36.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -400.651279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.651279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.651279 (E_RNA)
where:
Base-Base interactions energy: -273.177
where: short stacking energy: -125.383
Base-Backbone interact. energy: -0.139
local terms energy: -127.335247
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -379.066308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.066308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.066308 (E_RNA)
where:
Base-Base interactions energy: -252.593
where: short stacking energy: -113.621
Base-Backbone interact. energy: -0.938
local terms energy: -125.536083
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -352.720421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.720421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.720421 (E_RNA)
where:
Base-Base interactions energy: -242.304
where: short stacking energy: -115.160
Base-Backbone interact. energy: -0.968
local terms energy: -109.448679
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -23.266
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: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -275.112266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.112266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.112266 (E_RNA)
where:
Base-Base interactions energy: -170.989
where: short stacking energy: -84.263
Base-Backbone interact. energy: -1.075
local terms energy: -103.047887
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -298.848347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.848347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.848347 (E_RNA)
where:
Base-Base interactions energy: -199.732
where: short stacking energy: -90.771
Base-Backbone interact. energy: -0.212
local terms energy: -98.904357
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -204.749884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.749884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.749884 (E_RNA)
where:
Base-Base interactions energy: -108.989
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.529
local terms energy: -95.231625
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -26.058
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -9.033
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: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -492.104313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.104313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.104313 (E_RNA)
where:
Base-Base interactions energy: -358.674
where: short stacking energy: -145.566
Base-Backbone interact. energy: -0.903
local terms energy: -132.527318
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -38.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -459.872772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.872772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.872772 (E_RNA)
where:
Base-Base interactions energy: -327.596
where: short stacking energy: -138.630
Base-Backbone interact. energy: -0.608
local terms energy: -131.668479
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -30.595
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -40.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -477.606509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.606509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.606509 (E_RNA)
where:
Base-Base interactions energy: -328.784
where: short stacking energy: -148.913
Base-Backbone interact. energy: -0.997
local terms energy: -147.824764
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -26.763
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -456.883103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.883103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.883103 (E_RNA)
where:
Base-Base interactions energy: -323.691
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.350
local terms energy: -132.842046
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -39.248
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -397.413672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.413672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.413672 (E_RNA)
where:
Base-Base interactions energy: -272.363
where: short stacking energy: -130.739
Base-Backbone interact. energy: -0.133
local terms energy: -124.917246
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -29.656
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -441.538419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.538419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.538419 (E_RNA)
where:
Base-Base interactions energy: -312.129
where: short stacking energy: -149.611
Base-Backbone interact. energy: -0.059
local terms energy: -129.349703
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -37.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -343.167266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.167266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.167266 (E_RNA)
where:
Base-Base interactions energy: -232.809
where: short stacking energy: -112.648
Base-Backbone interact. energy: -0.266
local terms energy: -110.092102
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -29.391
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: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -312.465952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.465952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.465952 (E_RNA)
where:
Base-Base interactions energy: -211.363
where: short stacking energy: -98.956
Base-Backbone interact. energy: -1.568
local terms energy: -99.535442
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -271.261743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.261743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.261743 (E_RNA)
where:
Base-Base interactions energy: -172.676
where: short stacking energy: -92.151
Base-Backbone interact. energy: -0.156
local terms energy: -98.429165
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -197.305417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.305417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.305417 (E_RNA)
where:
Base-Base interactions energy: -109.800
where: short stacking energy: -45.152
Base-Backbone interact. energy: 2.198
local terms energy: -89.702592
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -479.817517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.817517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.817517 (E_RNA)
where:
Base-Base interactions energy: -343.914
where: short stacking energy: -140.323
Base-Backbone interact. energy: -0.071
local terms energy: -135.832745
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -38.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -471.833175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.833175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.833175 (E_RNA)
where:
Base-Base interactions energy: -336.650
where: short stacking energy: -139.274
Base-Backbone interact. energy: -0.834
local terms energy: -134.349436
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -25.269
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -448.234643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.234643 (E_RNA)
where:
Base-Base interactions energy: -307.560
where: short stacking energy: -137.728
Base-Backbone interact. energy: -1.507
local terms energy: -139.168055
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -37.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -461.372749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.372749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.372749 (E_RNA)
where:
Base-Base interactions energy: -315.372
where: short stacking energy: -147.858
Base-Backbone interact. energy: -1.317
local terms energy: -144.683072
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -44.310
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: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -441.178059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.178059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.178059 (E_RNA)
where:
Base-Base interactions energy: -325.225
where: short stacking energy: -150.640
Base-Backbone interact. energy: 1.642
local terms energy: -117.594859
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -37.450
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: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -386.942121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.942121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.942121 (E_RNA)
where:
Base-Base interactions energy: -265.419
where: short stacking energy: -130.622
Base-Backbone interact. energy: 0.196
local terms energy: -121.719024
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -32.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -333.005658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.005658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.005658 (E_RNA)
where:
Base-Base interactions energy: -220.267
where: short stacking energy: -98.166
Base-Backbone interact. energy: -0.298
local terms energy: -112.440490
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -21.912
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: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -355.956324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.956324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.956324 (E_RNA)
where:
Base-Base interactions energy: -231.436
where: short stacking energy: -112.840
Base-Backbone interact. energy: 0.215
local terms energy: -124.735297
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -29.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -257.684471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.684471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.684471 (E_RNA)
where:
Base-Base interactions energy: -154.878
where: short stacking energy: -77.472
Base-Backbone interact. energy: -0.398
local terms energy: -102.407806
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -162.833088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.833088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.833088 (E_RNA)
where:
Base-Base interactions energy: -77.260
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.186
local terms energy: -85.386717
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -26.903
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -0.509
tors. eta vs tors. theta energy: -10.626
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -486.197026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.197026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.197026 (E_RNA)
where:
Base-Base interactions energy: -340.682
where: short stacking energy: -151.873
Base-Backbone interact. energy: -0.608
local terms energy: -144.906944
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -485.853335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.853335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.853335 (E_RNA)
where:
Base-Base interactions energy: -339.811
where: short stacking energy: -138.252
Base-Backbone interact. energy: -0.334
local terms energy: -145.708531
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -40.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -454.518403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.518403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.518403 (E_RNA)
where:
Base-Base interactions energy: -310.135
where: short stacking energy: -131.524
Base-Backbone interact. energy: -1.917
local terms energy: -142.466454
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -37.572
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: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -463.430609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.430609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.430609 (E_RNA)
where:
Base-Base interactions energy: -317.725
where: short stacking energy: -148.738
Base-Backbone interact. energy: -1.145
local terms energy: -144.561147
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -42.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -456.215601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.215601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.215601 (E_RNA)
where:
Base-Base interactions energy: -314.257
where: short stacking energy: -142.225
Base-Backbone interact. energy: -0.213
local terms energy: -141.745660
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -33.491
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: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -367.819018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.819018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.819018 (E_RNA)
where:
Base-Base interactions energy: -244.099
where: short stacking energy: -122.639
Base-Backbone interact. energy: -2.036
local terms energy: -121.684491
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -324.874507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.874507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.874507 (E_RNA)
where:
Base-Base interactions energy: -210.714
where: short stacking energy: -98.225
Base-Backbone interact. energy: -0.283
local terms energy: -113.877700
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -328.135396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.135396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.135396 (E_RNA)
where:
Base-Base interactions energy: -220.185
where: short stacking energy: -105.337
Base-Backbone interact. energy: -0.178
local terms energy: -107.771728
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -27.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -272.981237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.981237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.981237 (E_RNA)
where:
Base-Base interactions energy: -171.773
where: short stacking energy: -77.907
Base-Backbone interact. energy: 2.534
local terms energy: -103.742765
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -161.819223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.819223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819223 (E_RNA)
where:
Base-Base interactions energy: -86.916
where: short stacking energy: -43.813
Base-Backbone interact. energy: -0.395
local terms energy: -74.508307
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -500.053624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.053624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.053624 (E_RNA)
where:
Base-Base interactions energy: -347.656
where: short stacking energy: -138.360
Base-Backbone interact. energy: -0.429
local terms energy: -151.967972
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -40.853
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: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -480.630373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.630373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.630373 (E_RNA)
where:
Base-Base interactions energy: -342.662
where: short stacking energy: -157.948
Base-Backbone interact. energy: -0.168
local terms energy: -137.800977
where:
bonds (distance) C4'-P energy: -23.064
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -39.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -477.291544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.291544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.291544 (E_RNA)
where:
Base-Base interactions energy: -331.868
where: short stacking energy: -156.420
Base-Backbone interact. energy: -0.771
local terms energy: -144.652331
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -31.087
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -46.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -443.935612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.935612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.935612 (E_RNA)
where:
Base-Base interactions energy: -308.707
where: short stacking energy: -126.068
Base-Backbone interact. energy: -0.093
local terms energy: -135.135164
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -26.598
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -39.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -460.250039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.250039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.250039 (E_RNA)
where:
Base-Base interactions energy: -315.922
where: short stacking energy: -142.236
Base-Backbone interact. energy: -0.426
local terms energy: -143.901993
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -40.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -371.116728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.116728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.116728 (E_RNA)
where:
Base-Base interactions energy: -252.322
where: short stacking energy: -120.323
Base-Backbone interact. energy: -0.539
local terms energy: -118.255962
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -29.495
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: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -324.625010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.625010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.625010 (E_RNA)
where:
Base-Base interactions energy: -197.852
where: short stacking energy: -99.195
Base-Backbone interact. energy: -0.054
local terms energy: -126.719921
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -21.703
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: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -358.158272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.158272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.158272 (E_RNA)
where:
Base-Base interactions energy: -246.073
where: short stacking energy: -123.712
Base-Backbone interact. energy: -0.998
local terms energy: -111.087681
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -284.203366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.203366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.203366 (E_RNA)
where:
Base-Base interactions energy: -191.154
where: short stacking energy: -83.263
Base-Backbone interact. energy: -0.459
local terms energy: -92.590589
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -12.702
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: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -132.355265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.355265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.355265 (E_RNA)
where:
Base-Base interactions energy: -52.256
where: short stacking energy: -47.659
Base-Backbone interact. energy: 1.632
local terms energy: -81.731125
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -1.789
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: 215
Temperature: 0.900000
Total energy: -484.454284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.454284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.454284 (E_RNA)
where:
Base-Base interactions energy: -341.322
where: short stacking energy: -137.729
Base-Backbone interact. energy: -0.710
local terms energy: -142.422956
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -35.707
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: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -478.854468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.854468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.854468 (E_RNA)
where:
Base-Base interactions energy: -329.187
where: short stacking energy: -143.414
Base-Backbone interact. energy: -1.912
local terms energy: -147.756302
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -43.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -467.871585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.871585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.871585 (E_RNA)
where:
Base-Base interactions energy: -325.792
where: short stacking energy: -153.221
Base-Backbone interact. energy: -0.677
local terms energy: -141.402297
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -43.292
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: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -429.160943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.160943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.160943 (E_RNA)
where:
Base-Base interactions energy: -294.363
where: short stacking energy: -128.914
Base-Backbone interact. energy: -0.721
local terms energy: -134.076712
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -32.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -454.311102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.311102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.311102 (E_RNA)
where:
Base-Base interactions energy: -323.154
where: short stacking energy: -140.267
Base-Backbone interact. energy: 1.848
local terms energy: -133.004826
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -34.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -340.644759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.644759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.644759 (E_RNA)
where:
Base-Base interactions energy: -226.782
where: short stacking energy: -114.083
Base-Backbone interact. energy: -0.034
local terms energy: -113.828627
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -351.087054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.087054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.087054 (E_RNA)
where:
Base-Base interactions energy: -240.908
where: short stacking energy: -103.984
Base-Backbone interact. energy: -0.774
local terms energy: -109.404652
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -305.165952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.165952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.165952 (E_RNA)
where:
Base-Base interactions energy: -195.975
where: short stacking energy: -78.127
Base-Backbone interact. energy: -0.185
local terms energy: -109.005179
where:
bonds (distance) C4'-P energy: -26.076
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -19.179
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -278.366025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.366025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.366025 (E_RNA)
where:
Base-Base interactions energy: -177.674
where: short stacking energy: -90.619
Base-Backbone interact. energy: -0.980
local terms energy: -99.711534
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -17.589
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: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -161.340671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.340671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.340671 (E_RNA)
where:
Base-Base interactions energy: -70.893
where: short stacking energy: -69.675
Base-Backbone interact. energy: -0.489
local terms energy: -89.957977
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -7.619
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: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -477.175521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.175521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.175521 (E_RNA)
where:
Base-Base interactions energy: -329.525
where: short stacking energy: -153.260
Base-Backbone interact. energy: -0.314
local terms energy: -147.335971
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -42.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -487.024331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.024331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.024331 (E_RNA)
where:
Base-Base interactions energy: -355.883
where: short stacking energy: -134.130
Base-Backbone interact. energy: -3.170
local terms energy: -127.971809
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -35.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -447.371849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.371849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.371849 (E_RNA)
where:
Base-Base interactions energy: -304.565
where: short stacking energy: -136.700
Base-Backbone interact. energy: 1.382
local terms energy: -144.188674
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -28.455
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -38.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -469.604146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.604146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.604146 (E_RNA)
where:
Base-Base interactions energy: -341.527
where: short stacking energy: -162.175
Base-Backbone interact. energy: -0.695
local terms energy: -127.382559
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -452.912113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.912113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.912113 (E_RNA)
where:
Base-Base interactions energy: -323.281
where: short stacking energy: -151.791
Base-Backbone interact. energy: -1.302
local terms energy: -128.329674
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -38.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -343.512231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.512231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.512231 (E_RNA)
where:
Base-Base interactions energy: -222.662
where: short stacking energy: -112.449
Base-Backbone interact. energy: -0.046
local terms energy: -120.804866
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -26.027
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -325.124329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.124329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.124329 (E_RNA)
where:
Base-Base interactions energy: -205.196
where: short stacking energy: -97.860
Base-Backbone interact. energy: -0.571
local terms energy: -119.357981
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -30.291
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -19.647
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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -335.152827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.152827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.152827 (E_RNA)
where:
Base-Base interactions energy: -216.869
where: short stacking energy: -92.500
Base-Backbone interact. energy: 1.787
local terms energy: -120.070964
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -23.517
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: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -274.993487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.993487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.993487 (E_RNA)
where:
Base-Base interactions energy: -174.282
where: short stacking energy: -94.382
Base-Backbone interact. energy: -0.887
local terms energy: -99.824507
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -150.085219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.085219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.085219 (E_RNA)
where:
Base-Base interactions energy: -71.345
where: short stacking energy: -49.955
Base-Backbone interact. energy: 0.046
local terms energy: -78.786391
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -489.450474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.450474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.450474 (E_RNA)
where:
Base-Base interactions energy: -328.489
where: short stacking energy: -160.670
Base-Backbone interact. energy: -0.618
local terms energy: -160.343292
where:
bonds (distance) C4'-P energy: -28.692
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -45.425
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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -466.147656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.147656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.147656 (E_RNA)
where:
Base-Base interactions energy: -326.287
where: short stacking energy: -144.581
Base-Backbone interact. energy: -0.043
local terms energy: -139.817916
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -39.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -477.333903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.333903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.333903 (E_RNA)
where:
Base-Base interactions energy: -342.485
where: short stacking energy: -137.291
Base-Backbone interact. energy: -0.604
local terms energy: -134.244883
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -35.698
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: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -484.424177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.424177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.424177 (E_RNA)
where:
Base-Base interactions energy: -337.344
where: short stacking energy: -143.796
Base-Backbone interact. energy: -0.903
local terms energy: -146.177160
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -40.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -450.073898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.073898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.073898 (E_RNA)
where:
Base-Base interactions energy: -310.990
where: short stacking energy: -142.937
Base-Backbone interact. energy: -0.678
local terms energy: -138.406454
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -36.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -329.026433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.026433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.026433 (E_RNA)
where:
Base-Base interactions energy: -211.806
where: short stacking energy: -88.166
Base-Backbone interact. energy: -0.280
local terms energy: -116.940648
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -25.352
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: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -331.094906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.094906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.094906 (E_RNA)
where:
Base-Base interactions energy: -216.831
where: short stacking energy: -99.959
Base-Backbone interact. energy: 0.142
local terms energy: -114.405726
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -20.262
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -329.157223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.157223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.157223 (E_RNA)
where:
Base-Base interactions energy: -232.603
where: short stacking energy: -110.462
Base-Backbone interact. energy: -0.439
local terms energy: -96.114955
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -19.526
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: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -278.133158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.133158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.133158 (E_RNA)
where:
Base-Base interactions energy: -173.781
where: short stacking energy: -90.993
Base-Backbone interact. energy: -0.133
local terms energy: -104.219422
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -17.589
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: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -127.823766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.823766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.823766 (E_RNA)
where:
Base-Base interactions energy: -45.164
where: short stacking energy: -41.387
Base-Backbone interact. energy: -0.197
local terms energy: -82.462782
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -18.681
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: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -479.519417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.519417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.519417 (E_RNA)
where:
Base-Base interactions energy: -332.930
where: short stacking energy: -163.859
Base-Backbone interact. energy: -0.577
local terms energy: -146.011997
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -44.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -465.490407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.490407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.490407 (E_RNA)
where:
Base-Base interactions energy: -321.570
where: short stacking energy: -137.627
Base-Backbone interact. energy: -1.715
local terms energy: -142.205412
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -40.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -475.326551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.326551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.326551 (E_RNA)
where:
Base-Base interactions energy: -332.026
where: short stacking energy: -150.215
Base-Backbone interact. energy: -0.060
local terms energy: -143.240107
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -40.252
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: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -461.541620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.541620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.541620 (E_RNA)
where:
Base-Base interactions energy: -335.818
where: short stacking energy: -147.426
Base-Backbone interact. energy: -1.784
local terms energy: -123.939769
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -36.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -440.865028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.865028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.865028 (E_RNA)
where:
Base-Base interactions energy: -295.015
where: short stacking energy: -144.029
Base-Backbone interact. energy: -0.992
local terms energy: -144.857759
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -39.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -344.844918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.844918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.844918 (E_RNA)
where:
Base-Base interactions energy: -232.957
where: short stacking energy: -113.406
Base-Backbone interact. energy: 0.446
local terms energy: -112.334589
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -343.846215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.846215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.846215 (E_RNA)
where:
Base-Base interactions energy: -237.977
where: short stacking energy: -98.675
Base-Backbone interact. energy: -0.253
local terms energy: -105.616248
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -20.053
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -319.040555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.040555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.040555 (E_RNA)
where:
Base-Base interactions energy: -208.098
where: short stacking energy: -100.534
Base-Backbone interact. energy: -1.992
local terms energy: -108.950338
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -26.779
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: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -276.822153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.822153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.822153 (E_RNA)
where:
Base-Base interactions energy: -165.539
where: short stacking energy: -88.502
Base-Backbone interact. energy: -0.472
local terms energy: -110.811228
where:
bonds (distance) C4'-P energy: -30.434
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -226.674348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.674348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.674348 (E_RNA)
where:
Base-Base interactions energy: -135.196
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.578
local terms energy: -90.900096
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -480.398736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.398736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.398736 (E_RNA)
where:
Base-Base interactions energy: -328.673
where: short stacking energy: -158.056
Base-Backbone interact. energy: -1.159
local terms energy: -150.567033
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -492.987867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.987867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.987867 (E_RNA)
where:
Base-Base interactions energy: -339.059
where: short stacking energy: -145.429
Base-Backbone interact. energy: -0.129
local terms energy: -153.799533
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -30.392
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -40.261
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: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -451.885327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.885327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.885327 (E_RNA)
where:
Base-Base interactions energy: -312.138
where: short stacking energy: -134.256
Base-Backbone interact. energy: 1.063
local terms energy: -140.810271
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -36.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -472.874288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.874288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.874288 (E_RNA)
where:
Base-Base interactions energy: -330.531
where: short stacking energy: -128.911
Base-Backbone interact. energy: -0.363
local terms energy: -141.979916
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -32.904
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -32.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -457.720925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.720925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.720925 (E_RNA)
where:
Base-Base interactions energy: -318.869
where: short stacking energy: -145.323
Base-Backbone interact. energy: 0.414
local terms energy: -139.265785
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -37.778
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: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -358.760893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.760893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.760893 (E_RNA)
where:
Base-Base interactions energy: -232.910
where: short stacking energy: -117.566
Base-Backbone interact. energy: -0.020
local terms energy: -125.830893
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -317.729879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.729879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.729879 (E_RNA)
where:
Base-Base interactions energy: -219.050
where: short stacking energy: -105.561
Base-Backbone interact. energy: 2.351
local terms energy: -101.030825
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -17.704
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: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -330.352678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.352678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.352678 (E_RNA)
where:
Base-Base interactions energy: -209.698
where: short stacking energy: -93.645
Base-Backbone interact. energy: -0.620
local terms energy: -120.034216
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -26.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -267.839072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.839072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.839072 (E_RNA)
where:
Base-Base interactions energy: -172.801
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.471
local terms energy: -94.566927
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -251.736632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.736632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.736632 (E_RNA)
where:
Base-Base interactions energy: -160.020
where: short stacking energy: -73.289
Base-Backbone interact. energy: 0.944
local terms energy: -92.661204
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -489.791654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.791654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.791654 (E_RNA)
where:
Base-Base interactions energy: -343.263
where: short stacking energy: -156.984
Base-Backbone interact. energy: -0.171
local terms energy: -146.357592
where:
bonds (distance) C4'-P energy: -26.397
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -40.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -481.198485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.198485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.198485 (E_RNA)
where:
Base-Base interactions energy: -333.134
where: short stacking energy: -162.554
Base-Backbone interact. energy: -0.463
local terms energy: -147.601673
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -46.307
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: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -474.568429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.568429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.568429 (E_RNA)
where:
Base-Base interactions energy: -330.852
where: short stacking energy: -144.991
Base-Backbone interact. energy: -0.758
local terms energy: -142.957937
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -36.656
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: 220
Temperature: 1.050000
Total energy: -443.378065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.378065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.378065 (E_RNA)
where:
Base-Base interactions energy: -305.521
where: short stacking energy: -133.497
Base-Backbone interact. energy: -1.739
local terms energy: -136.117574
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -38.863
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: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -446.890643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.890643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.890643 (E_RNA)
where:
Base-Base interactions energy: -311.418
where: short stacking energy: -148.663
Base-Backbone interact. energy: 1.524
local terms energy: -136.997311
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -40.084
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -354.268803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.268803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.268803 (E_RNA)
where:
Base-Base interactions energy: -241.834
where: short stacking energy: -114.136
Base-Backbone interact. energy: -0.618
local terms energy: -111.816220
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -26.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -344.321763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.321763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.321763 (E_RNA)
where:
Base-Base interactions energy: -227.940
where: short stacking energy: -103.477
Base-Backbone interact. energy: -0.879
local terms energy: -115.502565
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -367.937717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.937717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.937717 (E_RNA)
where:
Base-Base interactions energy: -244.619
where: short stacking energy: -103.911
Base-Backbone interact. energy: -0.625
local terms energy: -122.693802
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -35.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -261.495828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.495828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.495828 (E_RNA)
where:
Base-Base interactions energy: -165.289
where: short stacking energy: -84.012
Base-Backbone interact. energy: 1.696
local terms energy: -97.903143
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -13.371
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: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -259.071938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.071938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.071938 (E_RNA)
where:
Base-Base interactions energy: -154.413
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.968
local terms energy: -103.691194
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -493.162813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.162813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.162813 (E_RNA)
where:
Base-Base interactions energy: -341.138
where: short stacking energy: -156.091
Base-Backbone interact. energy: -1.170
local terms energy: -150.855402
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -31.191
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: -44.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -481.187616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.187616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.187616 (E_RNA)
where:
Base-Base interactions energy: -335.123
where: short stacking energy: -140.166
Base-Backbone interact. energy: 1.941
local terms energy: -148.005665
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -38.086
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: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -464.452547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.452547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.452547 (E_RNA)
where:
Base-Base interactions energy: -319.865
where: short stacking energy: -140.442
Base-Backbone interact. energy: -0.562
local terms energy: -144.025965
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -41.820
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: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -458.720278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.720278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.720278 (E_RNA)
where:
Base-Base interactions energy: -313.035
where: short stacking energy: -146.949
Base-Backbone interact. energy: -0.748
local terms energy: -144.937564
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -435.675870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.675870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.675870 (E_RNA)
where:
Base-Base interactions energy: -299.413
where: short stacking energy: -120.303
Base-Backbone interact. energy: -1.132
local terms energy: -135.130246
where:
bonds (distance) C4'-P energy: -27.122
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -36.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -375.356177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.356177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.356177 (E_RNA)
where:
Base-Base interactions energy: -267.966
where: short stacking energy: -113.753
Base-Backbone interact. energy: -0.846
local terms energy: -106.544009
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -24.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -365.366162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.366162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.366162 (E_RNA)
where:
Base-Base interactions energy: -240.546
where: short stacking energy: -106.885
Base-Backbone interact. energy: -0.417
local terms energy: -124.402827
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -24.002
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: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -322.511807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.511807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.511807 (E_RNA)
where:
Base-Base interactions energy: -210.491
where: short stacking energy: -97.129
Base-Backbone interact. energy: -0.247
local terms energy: -111.774296
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -25.947
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: 221
Temperature: 1.300000
Total energy: -253.283495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.283495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.283495 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -81.052
Base-Backbone interact. energy: -0.260
local terms energy: -99.994376
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -27.088
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -11.589
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: 221
Temperature: 1.350000
Total energy: -234.201694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.201694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.201694 (E_RNA)
where:
Base-Base interactions energy: -154.703
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.134
local terms energy: -79.364691
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -499.470980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.470980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.470980 (E_RNA)
where:
Base-Base interactions energy: -351.600
where: short stacking energy: -152.215
Base-Backbone interact. energy: -1.403
local terms energy: -146.468208
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -31.286
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -41.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -475.313783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.313783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.313783 (E_RNA)
where:
Base-Base interactions energy: -332.936
where: short stacking energy: -154.631
Base-Backbone interact. energy: -0.097
local terms energy: -142.280831
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -39.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -471.896707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.896707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.896707 (E_RNA)
where:
Base-Base interactions energy: -328.926
where: short stacking energy: -154.154
Base-Backbone interact. energy: -0.266
local terms energy: -142.705201
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -41.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -467.506313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.506313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.506313 (E_RNA)
where:
Base-Base interactions energy: -335.377
where: short stacking energy: -145.082
Base-Backbone interact. energy: -0.181
local terms energy: -131.947988
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -26.729
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -39.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -431.901081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.901081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.901081 (E_RNA)
where:
Base-Base interactions energy: -310.712
where: short stacking energy: -132.942
Base-Backbone interact. energy: -0.352
local terms energy: -120.836526
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -30.766
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: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -358.153070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.153070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.153070 (E_RNA)
where:
Base-Base interactions energy: -242.677
where: short stacking energy: -109.627
Base-Backbone interact. energy: -0.320
local terms energy: -115.156161
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -30.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -342.481651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.481651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.481651 (E_RNA)
where:
Base-Base interactions energy: -224.429
where: short stacking energy: -106.927
Base-Backbone interact. energy: -0.437
local terms energy: -117.616623
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -28.686
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: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -339.775651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.775651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.775651 (E_RNA)
where:
Base-Base interactions energy: -227.138
where: short stacking energy: -95.264
Base-Backbone interact. energy: -0.117
local terms energy: -112.520460
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -246.788089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.788089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.788089 (E_RNA)
where:
Base-Base interactions energy: -157.230
where: short stacking energy: -81.804
Base-Backbone interact. energy: -1.483
local terms energy: -88.075185
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -11.605
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: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -240.596686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.596686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.596686 (E_RNA)
where:
Base-Base interactions energy: -145.967
where: short stacking energy: -73.982
Base-Backbone interact. energy: -3.000
local terms energy: -91.629359
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -491.829885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.829885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.829885 (E_RNA)
where:
Base-Base interactions energy: -351.314
where: short stacking energy: -146.623
Base-Backbone interact. energy: 0.864
local terms energy: -141.380602
where:
bonds (distance) C4'-P energy: -29.077
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -36.852
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: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -483.242744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.242744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.242744 (E_RNA)
where:
Base-Base interactions energy: -338.302
where: short stacking energy: -150.576
Base-Backbone interact. energy: -0.786
local terms energy: -144.154828
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -40.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -450.538545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.538545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.538545 (E_RNA)
where:
Base-Base interactions energy: -312.223
where: short stacking energy: -138.060
Base-Backbone interact. energy: -0.512
local terms energy: -137.802806
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -37.987
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: 223
Temperature: 1.050000
Total energy: -459.844115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.844115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.844115 (E_RNA)
where:
Base-Base interactions energy: -322.384
where: short stacking energy: -147.453
Base-Backbone interact. energy: -0.347
local terms energy: -137.112759
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -37.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -435.350496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.350496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.350496 (E_RNA)
where:
Base-Base interactions energy: -304.363
where: short stacking energy: -131.249
Base-Backbone interact. energy: 0.222
local terms energy: -131.208843
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -28.182
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -37.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -346.152439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.152439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.152439 (E_RNA)
where:
Base-Base interactions energy: -224.497
where: short stacking energy: -110.809
Base-Backbone interact. energy: -0.862
local terms energy: -120.794183
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -24.172
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: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -352.472359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.472359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.472359 (E_RNA)
where:
Base-Base interactions energy: -239.345
where: short stacking energy: -113.438
Base-Backbone interact. energy: -0.694
local terms energy: -112.433095
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -342.226441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.226441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.226441 (E_RNA)
where:
Base-Base interactions energy: -233.935
where: short stacking energy: -97.807
Base-Backbone interact. energy: -0.686
local terms energy: -107.605292
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -253.911860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.911860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.911860 (E_RNA)
where:
Base-Base interactions energy: -162.148
where: short stacking energy: -79.095
Base-Backbone interact. energy: -0.568
local terms energy: -91.195573
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -241.054610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.054610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.054610 (E_RNA)
where:
Base-Base interactions energy: -151.144
where: short stacking energy: -80.528
Base-Backbone interact. energy: 0.820
local terms energy: -90.730514
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -491.581212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.581212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.581212 (E_RNA)
where:
Base-Base interactions energy: -340.156
where: short stacking energy: -157.355
Base-Backbone interact. energy: -0.069
local terms energy: -151.356089
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -44.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -488.671091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.671091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.671091 (E_RNA)
where:
Base-Base interactions energy: -356.277
where: short stacking energy: -149.229
Base-Backbone interact. energy: -0.468
local terms energy: -131.926133
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -23.826
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -36.460
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -485.563257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.563257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.563257 (E_RNA)
where:
Base-Base interactions energy: -340.154
where: short stacking energy: -143.656
Base-Backbone interact. energy: -0.422
local terms energy: -144.987465
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -24.478
tors. eta vs tors. theta energy: -39.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -458.352830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.352830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.352830 (E_RNA)
where:
Base-Base interactions energy: -316.751
where: short stacking energy: -145.630
Base-Backbone interact. energy: -0.012
local terms energy: -141.589906
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -30.061
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -41.830
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: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -437.082551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.082551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.082551 (E_RNA)
where:
Base-Base interactions energy: -300.781
where: short stacking energy: -139.823
Base-Backbone interact. energy: -0.690
local terms energy: -135.611438
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -37.182
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: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -348.525678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.525678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.525678 (E_RNA)
where:
Base-Base interactions energy: -246.171
where: short stacking energy: -121.492
Base-Backbone interact. energy: -0.257
local terms energy: -102.097666
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -344.788445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.788445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.788445 (E_RNA)
where:
Base-Base interactions energy: -232.775
where: short stacking energy: -110.003
Base-Backbone interact. energy: -0.395
local terms energy: -111.618735
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -15.484
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: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -353.170207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.170207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.170207 (E_RNA)
where:
Base-Base interactions energy: -241.316
where: short stacking energy: -112.867
Base-Backbone interact. energy: -1.025
local terms energy: -110.828718
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -26.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -253.548112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.548112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.548112 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -75.273
Base-Backbone interact. energy: -0.352
local terms energy: -97.453736
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -263.972984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.972984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.972984 (E_RNA)
where:
Base-Base interactions energy: -154.967
where: short stacking energy: -84.294
Base-Backbone interact. energy: -0.197
local terms energy: -108.809076
where:
bonds (distance) C4'-P energy: -28.387
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -495.307008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.307008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.307008 (E_RNA)
where:
Base-Base interactions energy: -344.892
where: short stacking energy: -162.590
Base-Backbone interact. energy: -0.054
local terms energy: -150.361781
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -30.695
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -43.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -493.388926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.388926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.388926 (E_RNA)
where:
Base-Base interactions energy: -353.710
where: short stacking energy: -148.310
Base-Backbone interact. energy: 0.244
local terms energy: -139.922844
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -41.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -470.469106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.469106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.469106 (E_RNA)
where:
Base-Base interactions energy: -325.932
where: short stacking energy: -143.938
Base-Backbone interact. energy: -0.836
local terms energy: -143.701025
where:
bonds (distance) C4'-P energy: -31.977
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -39.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -453.397869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.397869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.397869 (E_RNA)
where:
Base-Base interactions energy: -321.976
where: short stacking energy: -136.486
Base-Backbone interact. energy: -0.374
local terms energy: -131.047937
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -38.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -425.362475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.362475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.362475 (E_RNA)
where:
Base-Base interactions energy: -289.386
where: short stacking energy: -132.880
Base-Backbone interact. energy: -1.070
local terms energy: -134.906393
where:
bonds (distance) C4'-P energy: -26.625
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -34.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -353.710871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.710871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.710871 (E_RNA)
where:
Base-Base interactions energy: -227.062
where: short stacking energy: -111.077
Base-Backbone interact. energy: -0.206
local terms energy: -126.442026
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -316.417403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.417403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.417403 (E_RNA)
where:
Base-Base interactions energy: -216.558
where: short stacking energy: -103.407
Base-Backbone interact. energy: 0.797
local terms energy: -100.657022
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -22.147
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: 225
Temperature: 1.250000
Total energy: -348.667273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.667273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.667273 (E_RNA)
where:
Base-Base interactions energy: -232.383
where: short stacking energy: -108.583
Base-Backbone interact. energy: 0.593
local terms energy: -116.877106
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -270.533996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.533996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.533996 (E_RNA)
where:
Base-Base interactions energy: -165.813
where: short stacking energy: -100.237
Base-Backbone interact. energy: -0.017
local terms energy: -104.704147
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -22.229
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: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -224.477451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477451 (E_RNA)
where:
Base-Base interactions energy: -131.289
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.303
local terms energy: -92.886138
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -11.975
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: 226
Temperature: 0.900000
Total energy: -507.357662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.357662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.357662 (E_RNA)
where:
Base-Base interactions energy: -358.281
where: short stacking energy: -155.733
Base-Backbone interact. energy: 0.161
local terms energy: -149.237751
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -39.582
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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -490.560603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.560603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.560603 (E_RNA)
where:
Base-Base interactions energy: -337.684
where: short stacking energy: -154.466
Base-Backbone interact. energy: -0.779
local terms energy: -152.097037
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -41.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -453.885951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.885951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.885951 (E_RNA)
where:
Base-Base interactions energy: -324.831
where: short stacking energy: -142.345
Base-Backbone interact. energy: -0.668
local terms energy: -128.386890
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -36.395
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: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -458.595793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.595793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.595793 (E_RNA)
where:
Base-Base interactions energy: -314.122
where: short stacking energy: -147.292
Base-Backbone interact. energy: -0.001
local terms energy: -144.472284
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -37.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -436.198789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.198789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.198789 (E_RNA)
where:
Base-Base interactions energy: -310.938
where: short stacking energy: -136.515
Base-Backbone interact. energy: -0.056
local terms energy: -125.204601
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -33.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -356.018526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.018526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.018526 (E_RNA)
where:
Base-Base interactions energy: -222.254
where: short stacking energy: -107.151
Base-Backbone interact. energy: -0.070
local terms energy: -133.694386
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -367.126596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.126596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.126596 (E_RNA)
where:
Base-Base interactions energy: -240.453
where: short stacking energy: -106.833
Base-Backbone interact. energy: -0.943
local terms energy: -125.730372
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -25.862
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: 226
Temperature: 1.250000
Total energy: -310.642155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.642155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.642155 (E_RNA)
where:
Base-Base interactions energy: -211.837
where: short stacking energy: -90.763
Base-Backbone interact. energy: -0.993
local terms energy: -97.811981
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -239.909831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.909831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.909831 (E_RNA)
where:
Base-Base interactions energy: -157.279
where: short stacking energy: -80.654
Base-Backbone interact. energy: -0.510
local terms energy: -82.120305
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -241.866068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.866068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.866068 (E_RNA)
where:
Base-Base interactions energy: -154.055
where: short stacking energy: -77.000
Base-Backbone interact. energy: -0.671
local terms energy: -87.139990
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -9.301
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -499.907200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.907200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.907200 (E_RNA)
where:
Base-Base interactions energy: -354.527
where: short stacking energy: -157.943
Base-Backbone interact. energy: -0.614
local terms energy: -144.765532
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -39.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -481.053899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.053899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.053899 (E_RNA)
where:
Base-Base interactions energy: -335.169
where: short stacking energy: -156.406
Base-Backbone interact. energy: 0.168
local terms energy: -146.053288
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -42.553
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: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -473.069620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.069620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.069620 (E_RNA)
where:
Base-Base interactions energy: -326.288
where: short stacking energy: -147.175
Base-Backbone interact. energy: -0.012
local terms energy: -146.769959
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -42.727
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: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -431.621398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.621398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.621398 (E_RNA)
where:
Base-Base interactions energy: -306.698
where: short stacking energy: -131.816
Base-Backbone interact. energy: -0.392
local terms energy: -124.531064
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -33.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -457.424627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.424627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.424627 (E_RNA)
where:
Base-Base interactions energy: -328.354
where: short stacking energy: -149.617
Base-Backbone interact. energy: -0.677
local terms energy: -128.393582
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -40.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -389.712365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.712365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.712365 (E_RNA)
where:
Base-Base interactions energy: -272.272
where: short stacking energy: -116.596
Base-Backbone interact. energy: -0.031
local terms energy: -117.409541
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -27.794
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: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -356.017021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.017021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.017021 (E_RNA)
where:
Base-Base interactions energy: -247.781
where: short stacking energy: -96.895
Base-Backbone interact. energy: -0.161
local terms energy: -108.075002
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -11.746
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -331.242795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.242795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.242795 (E_RNA)
where:
Base-Base interactions energy: -215.747
where: short stacking energy: -99.233
Base-Backbone interact. energy: -0.610
local terms energy: -114.885528
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -22.487
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: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -248.849198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.849198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.849198 (E_RNA)
where:
Base-Base interactions energy: -155.051
where: short stacking energy: -85.408
Base-Backbone interact. energy: -0.316
local terms energy: -93.482587
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -11.877
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: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -249.413499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.413499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.413499 (E_RNA)
where:
Base-Base interactions energy: -154.344
where: short stacking energy: -74.203
Base-Backbone interact. energy: 2.143
local terms energy: -97.212411
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -12.897
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: 228
Temperature: 0.900000
Total energy: -489.236431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.236431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.236431 (E_RNA)
where:
Base-Base interactions energy: -333.147
where: short stacking energy: -163.037
Base-Backbone interact. energy: -1.188
local terms energy: -154.901335
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -39.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -489.167405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.167405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.167405 (E_RNA)
where:
Base-Base interactions energy: -348.612
where: short stacking energy: -146.456
Base-Backbone interact. energy: -0.226
local terms energy: -140.329121
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -39.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -439.352296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.352296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.352296 (E_RNA)
where:
Base-Base interactions energy: -303.074
where: short stacking energy: -129.717
Base-Backbone interact. energy: -0.229
local terms energy: -136.049093
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -36.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -445.750266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.750266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.750266 (E_RNA)
where:
Base-Base interactions energy: -298.313
where: short stacking energy: -140.214
Base-Backbone interact. energy: -0.450
local terms energy: -146.987459
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -43.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -467.085388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.085388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.085388 (E_RNA)
where:
Base-Base interactions energy: -327.119
where: short stacking energy: -142.968
Base-Backbone interact. energy: -0.715
local terms energy: -139.251728
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -43.351
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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -396.111330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.111330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.111330 (E_RNA)
where:
Base-Base interactions energy: -273.290
where: short stacking energy: -130.703
Base-Backbone interact. energy: -0.202
local terms energy: -122.618823
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -34.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -363.542451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.542451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.542451 (E_RNA)
where:
Base-Base interactions energy: -245.521
where: short stacking energy: -104.089
Base-Backbone interact. energy: -0.397
local terms energy: -117.624317
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -346.802038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.802038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.802038 (E_RNA)
where:
Base-Base interactions energy: -232.673
where: short stacking energy: -115.443
Base-Backbone interact. energy: 1.805
local terms energy: -115.934325
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -273.526243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.526243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.526243 (E_RNA)
where:
Base-Base interactions energy: -178.257
where: short stacking energy: -101.205
Base-Backbone interact. energy: -0.594
local terms energy: -94.675496
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -14.313
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: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -246.159133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.159133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.159133 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -76.509
Base-Backbone interact. energy: -0.140
local terms energy: -95.704100
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -490.132417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.132417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.132417 (E_RNA)
where:
Base-Base interactions energy: -347.623
where: short stacking energy: -157.762
Base-Backbone interact. energy: 0.626
local terms energy: -143.135170
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -30.856
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -38.645
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: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -494.752947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.752947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.752947 (E_RNA)
where:
Base-Base interactions energy: -356.678
where: short stacking energy: -152.895
Base-Backbone interact. energy: -0.236
local terms energy: -137.839223
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -38.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -439.353086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.353086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.353086 (E_RNA)
where:
Base-Base interactions energy: -308.033
where: short stacking energy: -130.261
Base-Backbone interact. energy: 0.766
local terms energy: -132.086387
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -35.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -462.978350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.978350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.978350 (E_RNA)
where:
Base-Base interactions energy: -322.904
where: short stacking energy: -142.047
Base-Backbone interact. energy: -0.622
local terms energy: -139.452678
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -37.468
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: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -453.236496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.236496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.236496 (E_RNA)
where:
Base-Base interactions energy: -312.796
where: short stacking energy: -147.764
Base-Backbone interact. energy: -0.325
local terms energy: -140.115721
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -383.900354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.900354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.900354 (E_RNA)
where:
Base-Base interactions energy: -262.717
where: short stacking energy: -119.735
Base-Backbone interact. energy: -1.148
local terms energy: -120.034978
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -27.870
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: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -354.693177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.693177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.693177 (E_RNA)
where:
Base-Base interactions energy: -249.850
where: short stacking energy: -108.484
Base-Backbone interact. energy: -0.153
local terms energy: -104.690345
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -26.671
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: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -339.745210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.745210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.745210 (E_RNA)
where:
Base-Base interactions energy: -236.967
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.292
local terms energy: -102.486478
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -257.634900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.634900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.634900 (E_RNA)
where:
Base-Base interactions energy: -166.061
where: short stacking energy: -77.870
Base-Backbone interact. energy: -0.473
local terms energy: -91.100520
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -9.774
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: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -243.744875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.744875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.744875 (E_RNA)
where:
Base-Base interactions energy: -159.190
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.655
local terms energy: -83.900508
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -12.577
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: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -497.824987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.824987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.824987 (E_RNA)
where:
Base-Base interactions energy: -356.022
where: short stacking energy: -157.055
Base-Backbone interact. energy: -0.087
local terms energy: -141.716614
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -36.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -475.150604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.150604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.150604 (E_RNA)
where:
Base-Base interactions energy: -344.744
where: short stacking energy: -161.621
Base-Backbone interact. energy: 2.475
local terms energy: -132.880996
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -26.964
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -38.088
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: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -468.922433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.922433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.922433 (E_RNA)
where:
Base-Base interactions energy: -332.417
where: short stacking energy: -152.163
Base-Backbone interact. energy: -0.150
local terms energy: -136.355395
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -35.455
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: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -447.250618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.250618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.250618 (E_RNA)
where:
Base-Base interactions energy: -308.500
where: short stacking energy: -128.824
Base-Backbone interact. energy: -0.018
local terms energy: -138.732757
where:
bonds (distance) C4'-P energy: -30.588
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -31.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -433.748412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.748412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.748412 (E_RNA)
where:
Base-Base interactions energy: -299.489
where: short stacking energy: -121.733
Base-Backbone interact. energy: -0.692
local terms energy: -133.567554
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -35.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -373.799875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.799875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.799875 (E_RNA)
where:
Base-Base interactions energy: -256.323
where: short stacking energy: -104.479
Base-Backbone interact. energy: 3.990
local terms energy: -121.466688
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -352.998977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.998977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.998977 (E_RNA)
where:
Base-Base interactions energy: -237.751
where: short stacking energy: -117.329
Base-Backbone interact. energy: -0.444
local terms energy: -114.803895
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -30.640
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -350.180398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.180398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.180398 (E_RNA)
where:
Base-Base interactions energy: -224.215
where: short stacking energy: -104.247
Base-Backbone interact. energy: -0.277
local terms energy: -125.688295
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -28.689
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: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -242.811993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.811993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.811993 (E_RNA)
where:
Base-Base interactions energy: -151.393
where: short stacking energy: -82.964
Base-Backbone interact. energy: -0.474
local terms energy: -90.944747
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -13.169
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: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -291.682754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.682754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.682754 (E_RNA)
where:
Base-Base interactions energy: -190.056
where: short stacking energy: -80.536
Base-Backbone interact. energy: -1.108
local terms energy: -100.518730
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -493.601255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.601255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.601255 (E_RNA)
where:
Base-Base interactions energy: -347.341
where: short stacking energy: -145.244
Base-Backbone interact. energy: 0.123
local terms energy: -146.383062
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -32.683
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -38.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -468.773121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.773121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.773121 (E_RNA)
where:
Base-Base interactions energy: -328.087
where: short stacking energy: -145.953
Base-Backbone interact. energy: -0.264
local terms energy: -140.422165
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -32.576
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -35.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -476.416094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.416094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.416094 (E_RNA)
where:
Base-Base interactions energy: -340.445
where: short stacking energy: -150.731
Base-Backbone interact. energy: -0.833
local terms energy: -135.137504
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -42.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -433.587216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.587216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.587216 (E_RNA)
where:
Base-Base interactions energy: -307.577
where: short stacking energy: -122.642
Base-Backbone interact. energy: -1.227
local terms energy: -124.782730
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -456.806429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.806429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.806429 (E_RNA)
where:
Base-Base interactions energy: -311.992
where: short stacking energy: -146.389
Base-Backbone interact. energy: -1.902
local terms energy: -142.912242
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -380.335799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.335799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.335799 (E_RNA)
where:
Base-Base interactions energy: -262.187
where: short stacking energy: -110.340
Base-Backbone interact. energy: -0.416
local terms energy: -117.732958
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -364.631607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.631607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.631607 (E_RNA)
where:
Base-Base interactions energy: -235.275
where: short stacking energy: -94.162
Base-Backbone interact. energy: -0.714
local terms energy: -128.642556
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -23.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -350.208636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.208636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.208636 (E_RNA)
where:
Base-Base interactions energy: -234.736
where: short stacking energy: -101.752
Base-Backbone interact. energy: 1.059
local terms energy: -116.531880
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -18.992
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: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -248.699922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.699922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.699922 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -87.784
Base-Backbone interact. energy: -0.263
local terms energy: -100.724433
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -278.174733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.174733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.174733 (E_RNA)
where:
Base-Base interactions energy: -186.658
where: short stacking energy: -73.740
Base-Backbone interact. energy: -1.283
local terms energy: -90.233988
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -7.191
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: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -484.719511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.719511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.719511 (E_RNA)
where:
Base-Base interactions energy: -332.737
where: short stacking energy: -167.127
Base-Backbone interact. energy: -0.269
local terms energy: -151.713338
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -32.539
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -40.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -484.082773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.082773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.082773 (E_RNA)
where:
Base-Base interactions energy: -349.448
where: short stacking energy: -144.177
Base-Backbone interact. energy: -0.125
local terms energy: -134.509512
where:
bonds (distance) C4'-P energy: -25.835
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -36.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -475.046867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.046867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.046867 (E_RNA)
where:
Base-Base interactions energy: -338.682
where: short stacking energy: -152.394
Base-Backbone interact. energy: -0.371
local terms energy: -135.993470
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -26.519
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -36.602
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: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -442.237527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.237527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.237527 (E_RNA)
where:
Base-Base interactions energy: -319.468
where: short stacking energy: -142.560
Base-Backbone interact. energy: 2.537
local terms energy: -125.305913
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -32.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -438.904438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.904438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.904438 (E_RNA)
where:
Base-Base interactions energy: -304.720
where: short stacking energy: -139.026
Base-Backbone interact. energy: -0.038
local terms energy: -134.146293
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -39.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -394.779058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.779058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.779058 (E_RNA)
where:
Base-Base interactions energy: -270.426
where: short stacking energy: -114.715
Base-Backbone interact. energy: -0.356
local terms energy: -123.996837
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -349.781644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.781644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.781644 (E_RNA)
where:
Base-Base interactions energy: -238.166
where: short stacking energy: -118.961
Base-Backbone interact. energy: -0.224
local terms energy: -111.390983
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -25.104
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -344.473155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.473155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.473155 (E_RNA)
where:
Base-Base interactions energy: -228.107
where: short stacking energy: -98.408
Base-Backbone interact. energy: -0.343
local terms energy: -116.023568
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -255.712533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.712533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.712533 (E_RNA)
where:
Base-Base interactions energy: -161.476
where: short stacking energy: -74.748
Base-Backbone interact. energy: -0.646
local terms energy: -93.590662
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -19.960
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: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -237.838700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.838700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.838700 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -80.795
Base-Backbone interact. energy: -1.424
local terms energy: -90.576452
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -504.448247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.448247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.448247 (E_RNA)
where:
Base-Base interactions energy: -349.835
where: short stacking energy: -157.517
Base-Backbone interact. energy: -0.538
local terms energy: -154.075113
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -41.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -481.738863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.738863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.738863 (E_RNA)
where:
Base-Base interactions energy: -344.587
where: short stacking energy: -156.894
Base-Backbone interact. energy: -0.069
local terms energy: -137.082408
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -39.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -478.391222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.391222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.391222 (E_RNA)
where:
Base-Base interactions energy: -340.373
where: short stacking energy: -143.355
Base-Backbone interact. energy: -0.377
local terms energy: -137.641316
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -37.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -424.065523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.065523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.065523 (E_RNA)
where:
Base-Base interactions energy: -299.032
where: short stacking energy: -126.721
Base-Backbone interact. energy: -0.368
local terms energy: -124.666514
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -32.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -400.228502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.228502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.228502 (E_RNA)
where:
Base-Base interactions energy: -276.500
where: short stacking energy: -118.521
Base-Backbone interact. energy: -0.775
local terms energy: -122.953444
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -367.242801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.242801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.242801 (E_RNA)
where:
Base-Base interactions energy: -251.878
where: short stacking energy: -120.488
Base-Backbone interact. energy: -0.759
local terms energy: -114.606401
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -25.656
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -32.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -357.608425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.608425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.608425 (E_RNA)
where:
Base-Base interactions energy: -238.090
where: short stacking energy: -103.199
Base-Backbone interact. energy: 0.384
local terms energy: -119.902816
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -27.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -350.290886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.290886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.290886 (E_RNA)
where:
Base-Base interactions energy: -228.624
where: short stacking energy: -94.625
Base-Backbone interact. energy: -1.389
local terms energy: -120.277569
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -22.463
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: 233
Temperature: 1.300000
Total energy: -262.003634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.003634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.003634 (E_RNA)
where:
Base-Base interactions energy: -165.338
where: short stacking energy: -78.267
Base-Backbone interact. energy: 0.740
local terms energy: -97.405281
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -17.084
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: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -232.813883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.813883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.813883 (E_RNA)
where:
Base-Base interactions energy: -131.371
where: short stacking energy: -63.815
Base-Backbone interact. energy: -2.294
local terms energy: -99.148714
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -29.614
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -494.657655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.657655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.657655 (E_RNA)
where:
Base-Base interactions energy: -347.167
where: short stacking energy: -155.404
Base-Backbone interact. energy: -0.622
local terms energy: -146.869045
where:
bonds (distance) C4'-P energy: -26.798
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -42.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -496.727801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.727801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.727801 (E_RNA)
where:
Base-Base interactions energy: -346.582
where: short stacking energy: -159.437
Base-Backbone interact. energy: -0.299
local terms energy: -149.846688
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -483.707159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.707159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.707159 (E_RNA)
where:
Base-Base interactions energy: -346.796
where: short stacking energy: -141.026
Base-Backbone interact. energy: -0.436
local terms energy: -136.474512
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -36.620
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: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -434.645252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.645252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.645252 (E_RNA)
where:
Base-Base interactions energy: -298.344
where: short stacking energy: -124.063
Base-Backbone interact. energy: -0.686
local terms energy: -135.616050
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -33.375
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: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -420.518357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.518357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.518357 (E_RNA)
where:
Base-Base interactions energy: -307.852
where: short stacking energy: -129.132
Base-Backbone interact. energy: 0.511
local terms energy: -113.177486
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -25.778
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -361.593868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.593868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.593868 (E_RNA)
where:
Base-Base interactions energy: -247.304
where: short stacking energy: -119.049
Base-Backbone interact. energy: -0.212
local terms energy: -114.077272
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -27.784
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: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -369.514782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.514782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.514782 (E_RNA)
where:
Base-Base interactions energy: -253.867
where: short stacking energy: -107.512
Base-Backbone interact. energy: -0.658
local terms energy: -114.989855
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -364.632035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.632035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.632035 (E_RNA)
where:
Base-Base interactions energy: -256.966
where: short stacking energy: -105.032
Base-Backbone interact. energy: 2.416
local terms energy: -110.081152
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -299.590987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.590987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.590987 (E_RNA)
where:
Base-Base interactions energy: -193.566
where: short stacking energy: -88.432
Base-Backbone interact. energy: -0.084
local terms energy: -105.941442
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -241.841908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.841908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.841908 (E_RNA)
where:
Base-Base interactions energy: -145.833
where: short stacking energy: -75.350
Base-Backbone interact. energy: 1.492
local terms energy: -97.501633
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -495.805885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.805885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.805885 (E_RNA)
where:
Base-Base interactions energy: -355.579
where: short stacking energy: -153.380
Base-Backbone interact. energy: -0.154
local terms energy: -140.072944
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -40.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -475.039442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.039442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.039442 (E_RNA)
where:
Base-Base interactions energy: -336.129
where: short stacking energy: -146.354
Base-Backbone interact. energy: -0.450
local terms energy: -138.460679
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -29.722
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -40.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -473.254028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.254028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.254028 (E_RNA)
where:
Base-Base interactions energy: -327.227
where: short stacking energy: -142.050
Base-Backbone interact. energy: -0.459
local terms energy: -145.567432
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -31.625
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -38.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -446.143745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.143745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.143745 (E_RNA)
where:
Base-Base interactions energy: -314.257
where: short stacking energy: -135.385
Base-Backbone interact. energy: -0.845
local terms energy: -131.042586
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -33.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -426.886468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.886468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.886468 (E_RNA)
where:
Base-Base interactions energy: -299.039
where: short stacking energy: -123.008
Base-Backbone interact. energy: -0.261
local terms energy: -127.586069
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -34.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -380.459477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.459477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.459477 (E_RNA)
where:
Base-Base interactions energy: -255.823
where: short stacking energy: -122.496
Base-Backbone interact. energy: -1.370
local terms energy: -123.266436
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -27.995
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -34.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -362.892935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.892935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.892935 (E_RNA)
where:
Base-Base interactions energy: -251.269
where: short stacking energy: -109.691
Base-Backbone interact. energy: 0.023
local terms energy: -111.647625
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -25.743
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -329.585366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.585366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.585366 (E_RNA)
where:
Base-Base interactions energy: -214.146
where: short stacking energy: -91.226
Base-Backbone interact. energy: -1.142
local terms energy: -114.297411
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -297.576557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.576557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.576557 (E_RNA)
where:
Base-Base interactions energy: -189.358
where: short stacking energy: -82.225
Base-Backbone interact. energy: -0.275
local terms energy: -107.943294
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -233.036405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.036405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.036405 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -79.064
Base-Backbone interact. energy: 3.419
local terms energy: -99.399626
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -12.473
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: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -490.119889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.119889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.119889 (E_RNA)
where:
Base-Base interactions energy: -334.403
where: short stacking energy: -156.033
Base-Backbone interact. energy: -0.945
local terms energy: -154.771785
where:
bonds (distance) C4'-P energy: -30.226
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -28.892
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -42.456
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: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -479.748001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.748001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.748001 (E_RNA)
where:
Base-Base interactions energy: -337.850
where: short stacking energy: -148.564
Base-Backbone interact. energy: -0.228
local terms energy: -141.670634
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -39.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -478.804190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.804190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.804190 (E_RNA)
where:
Base-Base interactions energy: -332.304
where: short stacking energy: -151.088
Base-Backbone interact. energy: -0.149
local terms energy: -146.351250
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -433.311916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.311916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.311916 (E_RNA)
where:
Base-Base interactions energy: -304.896
where: short stacking energy: -125.808
Base-Backbone interact. energy: -1.809
local terms energy: -126.606729
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -26.283
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -30.138
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: 236
Temperature: 1.100000
Total energy: -419.227883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.227883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.227883 (E_RNA)
where:
Base-Base interactions energy: -294.118
where: short stacking energy: -118.925
Base-Backbone interact. energy: -0.516
local terms energy: -124.593174
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -29.985
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: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -388.723994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.723994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.723994 (E_RNA)
where:
Base-Base interactions energy: -263.260
where: short stacking energy: -132.596
Base-Backbone interact. energy: -0.305
local terms energy: -125.158895
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -34.030
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: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -371.580116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.580116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.580116 (E_RNA)
where:
Base-Base interactions energy: -258.259
where: short stacking energy: -104.686
Base-Backbone interact. energy: -1.229
local terms energy: -112.091836
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -26.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -328.836641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.836641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.836641 (E_RNA)
where:
Base-Base interactions energy: -224.531
where: short stacking energy: -95.022
Base-Backbone interact. energy: 0.024
local terms energy: -104.329559
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -310.861359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.861359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.861359 (E_RNA)
where:
Base-Base interactions energy: -197.761
where: short stacking energy: -94.944
Base-Backbone interact. energy: -0.256
local terms energy: -112.844265
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -21.820
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: 236
Temperature: 1.350000
Total energy: -244.806419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.806419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.806419 (E_RNA)
where:
Base-Base interactions energy: -135.711
where: short stacking energy: -77.405
Base-Backbone interact. energy: -2.859
local terms energy: -106.235951
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -18.787
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -488.062318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.062318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.062318 (E_RNA)
where:
Base-Base interactions energy: -347.499
where: short stacking energy: -159.893
Base-Backbone interact. energy: -0.958
local terms energy: -139.605495
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -488.640472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.640472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.640472 (E_RNA)
where:
Base-Base interactions energy: -339.780
where: short stacking energy: -158.706
Base-Backbone interact. energy: -0.352
local terms energy: -148.508336
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -29.534
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -42.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -462.991132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.991132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.991132 (E_RNA)
where:
Base-Base interactions energy: -315.034
where: short stacking energy: -147.835
Base-Backbone interact. energy: -0.266
local terms energy: -147.691004
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -456.310130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.310130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.310130 (E_RNA)
where:
Base-Base interactions energy: -307.319
where: short stacking energy: -140.458
Base-Backbone interact. energy: -0.160
local terms energy: -148.831066
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -42.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -428.391917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.391917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.391917 (E_RNA)
where:
Base-Base interactions energy: -307.020
where: short stacking energy: -135.859
Base-Backbone interact. energy: -0.100
local terms energy: -121.272039
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -28.827
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -33.422
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: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -331.621693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.621693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.621693 (E_RNA)
where:
Base-Base interactions energy: -220.076
where: short stacking energy: -106.876
Base-Backbone interact. energy: -0.251
local terms energy: -111.294895
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -22.789
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: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -359.923015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.923015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.923015 (E_RNA)
where:
Base-Base interactions energy: -243.894
where: short stacking energy: -106.810
Base-Backbone interact. energy: -0.460
local terms energy: -115.569225
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -28.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -306.714641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.714641 (E_RNA)
where:
Base-Base interactions energy: -208.397
where: short stacking energy: -86.654
Base-Backbone interact. energy: -0.981
local terms energy: -97.336370
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -316.275709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.275709 (E_RNA)
where:
Base-Base interactions energy: -206.992
where: short stacking energy: -101.381
Base-Backbone interact. energy: -0.611
local terms energy: -108.672370
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -219.611611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.611611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.611611 (E_RNA)
where:
Base-Base interactions energy: -137.764
where: short stacking energy: -69.574
Base-Backbone interact. energy: 0.879
local terms energy: -82.726823
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -6.461
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: 238
Temperature: 0.900000
Total energy: -494.812461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.812461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.812461 (E_RNA)
where:
Base-Base interactions energy: -348.350
where: short stacking energy: -154.861
Base-Backbone interact. energy: -0.772
local terms energy: -145.690826
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -41.648
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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -470.739214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.739214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.739214 (E_RNA)
where:
Base-Base interactions energy: -342.335
where: short stacking energy: -145.258
Base-Backbone interact. energy: -0.432
local terms energy: -127.972379
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -36.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -447.516096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.516096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.516096 (E_RNA)
where:
Base-Base interactions energy: -311.578
where: short stacking energy: -137.553
Base-Backbone interact. energy: -1.699
local terms energy: -134.239009
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -36.517
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: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -478.595046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.595046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.595046 (E_RNA)
where:
Base-Base interactions energy: -334.898
where: short stacking energy: -147.385
Base-Backbone interact. energy: -0.164
local terms energy: -143.532605
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -40.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -429.308678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.308678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.308678 (E_RNA)
where:
Base-Base interactions energy: -296.878
where: short stacking energy: -127.444
Base-Backbone interact. energy: -2.143
local terms energy: -130.287967
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -35.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -356.647017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.647017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.647017 (E_RNA)
where:
Base-Base interactions energy: -236.221
where: short stacking energy: -124.934
Base-Backbone interact. energy: -1.509
local terms energy: -118.916322
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -359.651831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.651831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.651831 (E_RNA)
where:
Base-Base interactions energy: -240.205
where: short stacking energy: -109.678
Base-Backbone interact. energy: -1.492
local terms energy: -117.954973
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -296.079003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.079003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.079003 (E_RNA)
where:
Base-Base interactions energy: -187.874
where: short stacking energy: -90.322
Base-Backbone interact. energy: 0.714
local terms energy: -108.919360
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -27.009
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -22.720
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: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -298.108555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.108555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.108555 (E_RNA)
where:
Base-Base interactions energy: -194.554
where: short stacking energy: -87.669
Base-Backbone interact. energy: 0.150
local terms energy: -103.705075
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -210.861326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.861326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.861326 (E_RNA)
where:
Base-Base interactions energy: -113.027
where: short stacking energy: -63.040
Base-Backbone interact. energy: 1.256
local terms energy: -99.090149
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -488.232242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.232242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.232242 (E_RNA)
where:
Base-Base interactions energy: -340.392
where: short stacking energy: -150.327
Base-Backbone interact. energy: -0.229
local terms energy: -147.610498
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -42.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -472.062757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.062757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.062757 (E_RNA)
where:
Base-Base interactions energy: -340.815
where: short stacking energy: -150.100
Base-Backbone interact. energy: -1.021
local terms energy: -130.226674
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -34.897
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: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -449.221355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.221355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.221355 (E_RNA)
where:
Base-Base interactions energy: -317.492
where: short stacking energy: -142.993
Base-Backbone interact. energy: -0.409
local terms energy: -131.320835
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -39.113
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: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -472.087142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.087142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.087142 (E_RNA)
where:
Base-Base interactions energy: -335.221
where: short stacking energy: -151.371
Base-Backbone interact. energy: 1.601
local terms energy: -138.467575
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -38.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -436.126519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.126519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.126519 (E_RNA)
where:
Base-Base interactions energy: -306.473
where: short stacking energy: -138.261
Base-Backbone interact. energy: -0.257
local terms energy: -129.396404
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -37.861
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: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -378.043044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.043044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.043044 (E_RNA)
where:
Base-Base interactions energy: -262.738
where: short stacking energy: -126.508
Base-Backbone interact. energy: 0.424
local terms energy: -115.729042
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: -25.041
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -346.216303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.216303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.216303 (E_RNA)
where:
Base-Base interactions energy: -236.043
where: short stacking energy: -113.669
Base-Backbone interact. energy: -0.107
local terms energy: -110.065552
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -23.886
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: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -301.881645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.881645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.881645 (E_RNA)
where:
Base-Base interactions energy: -195.216
where: short stacking energy: -92.457
Base-Backbone interact. energy: -0.355
local terms energy: -106.310725
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -16.318
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: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -307.189696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.189696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.189696 (E_RNA)
where:
Base-Base interactions energy: -206.597
where: short stacking energy: -99.243
Base-Backbone interact. energy: -1.236
local terms energy: -99.357068
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -10.414
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: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -241.581375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.581375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.581375 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -68.745
Base-Backbone interact. energy: 1.745
local terms energy: -89.341068
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -13.482
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: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -490.189435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.189435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.189435 (E_RNA)
where:
Base-Base interactions energy: -337.335
where: short stacking energy: -150.527
Base-Backbone interact. energy: -0.029
local terms energy: -152.825504
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -28.489
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -46.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -474.004840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.004840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.004840 (E_RNA)
where:
Base-Base interactions energy: -330.180
where: short stacking energy: -135.291
Base-Backbone interact. energy: -0.869
local terms energy: -142.956185
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -37.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -473.990157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.990157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.990157 (E_RNA)
where:
Base-Base interactions energy: -336.492
where: short stacking energy: -155.489
Base-Backbone interact. energy: -0.197
local terms energy: -137.301017
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -42.877
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -466.714173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.714173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.714173 (E_RNA)
where:
Base-Base interactions energy: -328.683
where: short stacking energy: -152.035
Base-Backbone interact. energy: -0.078
local terms energy: -137.952956
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -42.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -422.663623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.663623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.663623 (E_RNA)
where:
Base-Base interactions energy: -304.556
where: short stacking energy: -132.702
Base-Backbone interact. energy: -0.523
local terms energy: -117.584159
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -33.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -359.207630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.207630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.207630 (E_RNA)
where:
Base-Base interactions energy: -239.459
where: short stacking energy: -114.163
Base-Backbone interact. energy: 0.444
local terms energy: -120.192716
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -360.573315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.573315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.573315 (E_RNA)
where:
Base-Base interactions energy: -247.683
where: short stacking energy: -110.685
Base-Backbone interact. energy: -0.309
local terms energy: -112.581304
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -21.485
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: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -280.058325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.058325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.058325 (E_RNA)
where:
Base-Base interactions energy: -181.260
where: short stacking energy: -80.216
Base-Backbone interact. energy: -0.765
local terms energy: -98.032821
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -311.071181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.071181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.071181 (E_RNA)
where:
Base-Base interactions energy: -208.197
where: short stacking energy: -99.202
Base-Backbone interact. energy: -0.205
local terms energy: -102.668799
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -242.163721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.163721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.163721 (E_RNA)
where:
Base-Base interactions energy: -153.904
where: short stacking energy: -85.249
Base-Backbone interact. energy: -0.399
local terms energy: -87.861263
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -6.530
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: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -499.070844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.070844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.070844 (E_RNA)
where:
Base-Base interactions energy: -351.495
where: short stacking energy: -156.156
Base-Backbone interact. energy: -0.111
local terms energy: -147.465509
where:
bonds (distance) C4'-P energy: -26.741
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -42.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -475.686404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.686404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.686404 (E_RNA)
where:
Base-Base interactions energy: -340.842
where: short stacking energy: -153.744
Base-Backbone interact. energy: -0.414
local terms energy: -134.430647
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -34.729
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -472.730076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.730076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.730076 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -144.296
Base-Backbone interact. energy: -0.358
local terms energy: -128.128284
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -29.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -458.736009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.736009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.736009 (E_RNA)
where:
Base-Base interactions energy: -308.415
where: short stacking energy: -148.295
Base-Backbone interact. energy: -0.045
local terms energy: -150.275700
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -42.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -433.460563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.460563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.460563 (E_RNA)
where:
Base-Base interactions energy: -310.512
where: short stacking energy: -134.334
Base-Backbone interact. energy: 0.007
local terms energy: -122.955547
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -33.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -378.279277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.279277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.279277 (E_RNA)
where:
Base-Base interactions energy: -259.109
where: short stacking energy: -119.427
Base-Backbone interact. energy: -0.083
local terms energy: -119.086640
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -28.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -359.938448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.938448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.938448 (E_RNA)
where:
Base-Base interactions energy: -249.879
where: short stacking energy: -112.520
Base-Backbone interact. energy: 0.582
local terms energy: -110.641776
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -328.694849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.694849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.694849 (E_RNA)
where:
Base-Base interactions energy: -214.371
where: short stacking energy: -109.186
Base-Backbone interact. energy: 2.918
local terms energy: -117.241370
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -28.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -288.748022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.748022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.748022 (E_RNA)
where:
Base-Base interactions energy: -198.227
where: short stacking energy: -88.408
Base-Backbone interact. energy: -0.824
local terms energy: -89.696945
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -14.415
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: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -241.640879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.640879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.640879 (E_RNA)
where:
Base-Base interactions energy: -144.498
where: short stacking energy: -81.969
Base-Backbone interact. energy: 0.105
local terms energy: -97.247016
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -14.009
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: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -495.453665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.453665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.453665 (E_RNA)
where:
Base-Base interactions energy: -352.622
where: short stacking energy: -160.271
Base-Backbone interact. energy: -0.271
local terms energy: -142.560657
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -42.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -486.992890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.992890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.992890 (E_RNA)
where:
Base-Base interactions energy: -341.316
where: short stacking energy: -151.416
Base-Backbone interact. energy: -0.007
local terms energy: -145.670649
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -39.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -466.829563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.829563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.829563 (E_RNA)
where:
Base-Base interactions energy: -328.391
where: short stacking energy: -134.203
Base-Backbone interact. energy: -0.894
local terms energy: -137.544658
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -33.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -463.288151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.288151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.288151 (E_RNA)
where:
Base-Base interactions energy: -323.091
where: short stacking energy: -151.231
Base-Backbone interact. energy: -0.006
local terms energy: -140.190706
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -43.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -449.935117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.935117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.935117 (E_RNA)
where:
Base-Base interactions energy: -309.865
where: short stacking energy: -133.998
Base-Backbone interact. energy: -0.022
local terms energy: -140.047222
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -36.004
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: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -381.898999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.898999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.898999 (E_RNA)
where:
Base-Base interactions energy: -260.370
where: short stacking energy: -116.954
Base-Backbone interact. energy: -1.104
local terms energy: -120.424377
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -27.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -376.669105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.669105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.669105 (E_RNA)
where:
Base-Base interactions energy: -264.924
where: short stacking energy: -129.991
Base-Backbone interact. energy: 0.811
local terms energy: -112.555402
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -31.324
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: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -308.400746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.400746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.400746 (E_RNA)
where:
Base-Base interactions energy: -188.897
where: short stacking energy: -105.269
Base-Backbone interact. energy: -0.682
local terms energy: -118.821456
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -28.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -286.887359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.887359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.887359 (E_RNA)
where:
Base-Base interactions energy: -205.741
where: short stacking energy: -93.545
Base-Backbone interact. energy: 1.675
local terms energy: -82.820994
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -249.697323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.697323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.697323 (E_RNA)
where:
Base-Base interactions energy: -153.364
where: short stacking energy: -88.154
Base-Backbone interact. energy: -0.640
local terms energy: -95.692898
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -24.694
flat angles C4'-P-C4' energy: -28.667
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -499.974869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.974869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.974869 (E_RNA)
where:
Base-Base interactions energy: -348.415
where: short stacking energy: -154.451
Base-Backbone interact. energy: -0.741
local terms energy: -150.819376
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -40.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -481.663562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.663562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.663562 (E_RNA)
where:
Base-Base interactions energy: -342.584
where: short stacking energy: -147.915
Base-Backbone interact. energy: -0.172
local terms energy: -138.907670
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -33.826
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -458.321166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.321166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.321166 (E_RNA)
where:
Base-Base interactions energy: -313.834
where: short stacking energy: -139.069
Base-Backbone interact. energy: -0.333
local terms energy: -144.153931
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -38.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -451.959968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.959968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.959968 (E_RNA)
where:
Base-Base interactions energy: -321.431
where: short stacking energy: -135.863
Base-Backbone interact. energy: 1.310
local terms energy: -131.839473
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -26.706
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -36.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -444.600545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.600545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.600545 (E_RNA)
where:
Base-Base interactions energy: -306.437
where: short stacking energy: -136.420
Base-Backbone interact. energy: -0.301
local terms energy: -137.862069
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -35.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -362.176928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.176928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.176928 (E_RNA)
where:
Base-Base interactions energy: -261.611
where: short stacking energy: -110.142
Base-Backbone interact. energy: -0.311
local terms energy: -100.255528
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -347.211772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.211772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.211772 (E_RNA)
where:
Base-Base interactions energy: -233.723
where: short stacking energy: -111.578
Base-Backbone interact. energy: -0.293
local terms energy: -113.196408
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -27.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -338.957092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.957092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.957092 (E_RNA)
where:
Base-Base interactions energy: -234.436
where: short stacking energy: -112.198
Base-Backbone interact. energy: 1.216
local terms energy: -105.737303
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -28.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -282.025074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.025074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.025074 (E_RNA)
where:
Base-Base interactions energy: -177.980
where: short stacking energy: -90.490
Base-Backbone interact. energy: -1.662
local terms energy: -102.383702
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -229.501595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.501595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.501595 (E_RNA)
where:
Base-Base interactions energy: -147.869
where: short stacking energy: -67.439
Base-Backbone interact. energy: -0.932
local terms energy: -80.700540
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -509.086012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.086012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.086012 (E_RNA)
where:
Base-Base interactions energy: -357.715
where: short stacking energy: -164.787
Base-Backbone interact. energy: -0.607
local terms energy: -150.763605
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -41.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -476.857083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.857083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.857083 (E_RNA)
where:
Base-Base interactions energy: -336.116
where: short stacking energy: -159.330
Base-Backbone interact. energy: -0.007
local terms energy: -140.733413
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -42.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -461.504536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.504536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.504536 (E_RNA)
where:
Base-Base interactions energy: -323.871
where: short stacking energy: -135.899
Base-Backbone interact. energy: -0.062
local terms energy: -137.571248
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -33.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -443.352321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.352321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.352321 (E_RNA)
where:
Base-Base interactions energy: -315.430
where: short stacking energy: -138.985
Base-Backbone interact. energy: -0.303
local terms energy: -127.618610
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -34.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -438.130679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.130679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.130679 (E_RNA)
where:
Base-Base interactions energy: -299.470
where: short stacking energy: -135.833
Base-Backbone interact. energy: -0.225
local terms energy: -138.436032
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -37.861
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: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -369.255796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.255796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.255796 (E_RNA)
where:
Base-Base interactions energy: -254.577
where: short stacking energy: -102.567
Base-Backbone interact. energy: -0.262
local terms energy: -114.416963
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -23.775
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -366.466447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.466447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.466447 (E_RNA)
where:
Base-Base interactions energy: -247.750
where: short stacking energy: -117.307
Base-Backbone interact. energy: -0.254
local terms energy: -118.462961
where:
bonds (distance) C4'-P energy: -25.854
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -341.453558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.453558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.453558 (E_RNA)
where:
Base-Base interactions energy: -232.313
where: short stacking energy: -88.714
Base-Backbone interact. energy: -1.341
local terms energy: -107.799223
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -21.403
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: 244
Temperature: 1.300000
Total energy: -249.394324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.394324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.394324 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.431
local terms energy: -105.371332
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -253.127870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.127870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.127870 (E_RNA)
where:
Base-Base interactions energy: -164.853
where: short stacking energy: -71.346
Base-Backbone interact. energy: -1.585
local terms energy: -86.689450
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -2.711
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -499.462016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.462016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.462016 (E_RNA)
where:
Base-Base interactions energy: -354.662
where: short stacking energy: -159.566
Base-Backbone interact. energy: -0.018
local terms energy: -144.782140
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -41.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -479.722154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.722154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.722154 (E_RNA)
where:
Base-Base interactions energy: -337.143
where: short stacking energy: -146.892
Base-Backbone interact. energy: -0.338
local terms energy: -142.240313
where:
bonds (distance) C4'-P energy: -29.902
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -19.455
tors. eta vs tors. theta energy: -37.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -474.841445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.841445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.841445 (E_RNA)
where:
Base-Base interactions energy: -330.728
where: short stacking energy: -153.673
Base-Backbone interact. energy: -1.389
local terms energy: -142.723801
where:
bonds (distance) C4'-P energy: -30.908
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -37.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -449.494782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.494782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.494782 (E_RNA)
where:
Base-Base interactions energy: -314.218
where: short stacking energy: -135.158
Base-Backbone interact. energy: -0.791
local terms energy: -134.485439
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -38.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -455.630214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.630214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.630214 (E_RNA)
where:
Base-Base interactions energy: -314.230
where: short stacking energy: -145.373
Base-Backbone interact. energy: -0.635
local terms energy: -140.764652
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -39.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -385.554578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.554578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.554578 (E_RNA)
where:
Base-Base interactions energy: -264.781
where: short stacking energy: -127.087
Base-Backbone interact. energy: -2.044
local terms energy: -118.729539
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -294.598018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.598018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.598018 (E_RNA)
where:
Base-Base interactions energy: -205.616
where: short stacking energy: -76.950
Base-Backbone interact. energy: -0.358
local terms energy: -88.624019
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -11.471
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: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -333.798490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.798490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.798490 (E_RNA)
where:
Base-Base interactions energy: -231.076
where: short stacking energy: -92.247
Base-Backbone interact. energy: 0.961
local terms energy: -103.683224
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -18.699
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: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -249.720175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.720175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.720175 (E_RNA)
where:
Base-Base interactions energy: -139.864
where: short stacking energy: -67.770
Base-Backbone interact. energy: -2.398
local terms energy: -107.458321
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -230.429193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.429193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.429193 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -80.566
Base-Backbone interact. energy: 2.831
local terms energy: -96.911390
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -19.896
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: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -480.100430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.100430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.100430 (E_RNA)
where:
Base-Base interactions energy: -337.852
where: short stacking energy: -139.435
Base-Backbone interact. energy: -0.593
local terms energy: -141.655678
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -38.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -487.030794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.030794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.030794 (E_RNA)
where:
Base-Base interactions energy: -338.730
where: short stacking energy: -159.201
Base-Backbone interact. energy: -0.640
local terms energy: -147.661110
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -41.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -459.844060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.844060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.844060 (E_RNA)
where:
Base-Base interactions energy: -318.585
where: short stacking energy: -140.269
Base-Backbone interact. energy: -0.446
local terms energy: -140.812694
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -38.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -473.201874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.201874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.201874 (E_RNA)
where:
Base-Base interactions energy: -332.715
where: short stacking energy: -154.467
Base-Backbone interact. energy: -0.089
local terms energy: -140.397905
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -41.217
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: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -444.612575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.612575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.612575 (E_RNA)
where:
Base-Base interactions energy: -304.961
where: short stacking energy: -135.736
Base-Backbone interact. energy: -2.160
local terms energy: -137.491687
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -43.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -375.849701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.849701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.849701 (E_RNA)
where:
Base-Base interactions energy: -259.058
where: short stacking energy: -115.573
Base-Backbone interact. energy: 0.290
local terms energy: -117.080947
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -28.698
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: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -342.135302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.135302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.135302 (E_RNA)
where:
Base-Base interactions energy: -218.323
where: short stacking energy: -98.469
Base-Backbone interact. energy: -2.093
local terms energy: -121.719477
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -23.548
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: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -297.404089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.404089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.404089 (E_RNA)
where:
Base-Base interactions energy: -198.290
where: short stacking energy: -86.508
Base-Backbone interact. energy: 0.213
local terms energy: -99.327452
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -14.292
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: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -264.536779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.536779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.536779 (E_RNA)
where:
Base-Base interactions energy: -164.348
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.873
local terms energy: -99.315384
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -15.849
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: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -235.056500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.056500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.056500 (E_RNA)
where:
Base-Base interactions energy: -142.654
where: short stacking energy: -77.305
Base-Backbone interact. energy: -0.516
local terms energy: -91.886442
where:
bonds (distance) C4'-P energy: -21.616
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -9.622
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: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -501.883864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.883864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.883864 (E_RNA)
where:
Base-Base interactions energy: -352.075
where: short stacking energy: -149.176
Base-Backbone interact. energy: -0.640
local terms energy: -149.169108
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -475.940626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.940626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.940626 (E_RNA)
where:
Base-Base interactions energy: -330.932
where: short stacking energy: -143.324
Base-Backbone interact. energy: -0.252
local terms energy: -144.757157
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -464.188401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.188401 (E_RNA)
where:
Base-Base interactions energy: -314.998
where: short stacking energy: -141.772
Base-Backbone interact. energy: 0.283
local terms energy: -149.473754
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -39.950
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: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -475.375391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.375391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.375391 (E_RNA)
where:
Base-Base interactions energy: -340.593
where: short stacking energy: -155.235
Base-Backbone interact. energy: -0.733
local terms energy: -134.049331
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -420.850641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.850641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.850641 (E_RNA)
where:
Base-Base interactions energy: -298.940
where: short stacking energy: -138.724
Base-Backbone interact. energy: -0.054
local terms energy: -121.856797
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -32.778
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: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -378.375676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.375676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.375676 (E_RNA)
where:
Base-Base interactions energy: -251.358
where: short stacking energy: -110.970
Base-Backbone interact. energy: -0.403
local terms energy: -126.614219
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -26.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -342.774579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.774579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.774579 (E_RNA)
where:
Base-Base interactions energy: -223.543
where: short stacking energy: -102.410
Base-Backbone interact. energy: 0.398
local terms energy: -119.629311
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -249.691293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.691293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.691293 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -82.507
Base-Backbone interact. energy: 0.760
local terms energy: -92.338377
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -9.269
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: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -261.118402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.118402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.118402 (E_RNA)
where:
Base-Base interactions energy: -161.801
where: short stacking energy: -84.881
Base-Backbone interact. energy: 0.304
local terms energy: -99.621976
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -12.370
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: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -226.367714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.367714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.367714 (E_RNA)
where:
Base-Base interactions energy: -130.381
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.110
local terms energy: -95.876502
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -8.393
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: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -485.065304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.065304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.065304 (E_RNA)
where:
Base-Base interactions energy: -340.411
where: short stacking energy: -150.336
Base-Backbone interact. energy: -0.484
local terms energy: -144.170201
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -39.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -479.866654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.866654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.866654 (E_RNA)
where:
Base-Base interactions energy: -333.258
where: short stacking energy: -142.621
Base-Backbone interact. energy: -0.551
local terms energy: -146.057613
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -40.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -479.397507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.397507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.397507 (E_RNA)
where:
Base-Base interactions energy: -338.580
where: short stacking energy: -155.296
Base-Backbone interact. energy: -0.084
local terms energy: -140.733458
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -39.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -448.698544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.698544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.698544 (E_RNA)
where:
Base-Base interactions energy: -316.162
where: short stacking energy: -139.925
Base-Backbone interact. energy: -0.762
local terms energy: -131.774354
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -40.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -433.097597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.097597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.097597 (E_RNA)
where:
Base-Base interactions energy: -301.855
where: short stacking energy: -132.053
Base-Backbone interact. energy: 3.917
local terms energy: -135.159134
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -35.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -386.412105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.412105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.412105 (E_RNA)
where:
Base-Base interactions energy: -270.447
where: short stacking energy: -111.997
Base-Backbone interact. energy: -0.237
local terms energy: -115.727721
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -26.938
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: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -354.995050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.995050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.995050 (E_RNA)
where:
Base-Base interactions energy: -238.065
where: short stacking energy: -104.504
Base-Backbone interact. energy: -1.784
local terms energy: -115.145995
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -18.006
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: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -260.401020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.401020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.401020 (E_RNA)
where:
Base-Base interactions energy: -165.876
where: short stacking energy: -93.247
Base-Backbone interact. energy: -0.212
local terms energy: -94.312759
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -262.426941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.426941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.426941 (E_RNA)
where:
Base-Base interactions energy: -164.595
where: short stacking energy: -80.934
Base-Backbone interact. energy: -2.528
local terms energy: -95.304367
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -248.330150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.330150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.330150 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.414
local terms energy: -92.843196
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -496.213825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.213825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.213825 (E_RNA)
where:
Base-Base interactions energy: -347.107
where: short stacking energy: -166.026
Base-Backbone interact. energy: -0.002
local terms energy: -149.104708
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -41.621
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -474.618666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.618666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.618666 (E_RNA)
where:
Base-Base interactions energy: -325.373
where: short stacking energy: -150.617
Base-Backbone interact. energy: -0.185
local terms energy: -149.060928
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -38.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -472.337371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.337371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.337371 (E_RNA)
where:
Base-Base interactions energy: -340.419
where: short stacking energy: -139.350
Base-Backbone interact. energy: -0.330
local terms energy: -131.588267
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -34.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -460.807355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.807355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.807355 (E_RNA)
where:
Base-Base interactions energy: -322.423
where: short stacking energy: -156.305
Base-Backbone interact. energy: -0.011
local terms energy: -138.373885
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -31.076
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -44.268
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: 249
Temperature: 1.100000
Total energy: -441.332165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.332165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.332165 (E_RNA)
where:
Base-Base interactions energy: -308.626
where: short stacking energy: -128.206
Base-Backbone interact. energy: -1.867
local terms energy: -130.838577
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -38.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -394.725492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.725492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.725492 (E_RNA)
where:
Base-Base interactions energy: -275.762
where: short stacking energy: -118.546
Base-Backbone interact. energy: -0.563
local terms energy: -118.399824
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -25.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -326.191744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.191744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.191744 (E_RNA)
where:
Base-Base interactions energy: -219.018
where: short stacking energy: -90.601
Base-Backbone interact. energy: -0.914
local terms energy: -106.259823
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -294.703992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.703992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.703992 (E_RNA)
where:
Base-Base interactions energy: -190.003
where: short stacking energy: -96.196
Base-Backbone interact. energy: -0.745
local terms energy: -103.955938
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -253.011221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.011221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.011221 (E_RNA)
where:
Base-Base interactions energy: -164.374
where: short stacking energy: -94.089
Base-Backbone interact. energy: -1.344
local terms energy: -87.292717
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -11.025
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: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -268.709019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.709019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.709019 (E_RNA)
where:
Base-Base interactions energy: -170.106
where: short stacking energy: -92.441
Base-Backbone interact. energy: -0.442
local terms energy: -98.161027
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -16.945
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: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -494.666000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.666000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.666000 (E_RNA)
where:
Base-Base interactions energy: -343.302
where: short stacking energy: -153.995
Base-Backbone interact. energy: -0.521
local terms energy: -150.843120
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -45.603
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: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -475.691814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.691814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.691814 (E_RNA)
where:
Base-Base interactions energy: -319.858
where: short stacking energy: -144.145
Base-Backbone interact. energy: -0.695
local terms energy: -155.139203
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -41.171
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -469.401116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.401116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.401116 (E_RNA)
where:
Base-Base interactions energy: -329.116
where: short stacking energy: -151.422
Base-Backbone interact. energy: -0.148
local terms energy: -140.137077
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -42.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -464.775406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.775406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.775406 (E_RNA)
where:
Base-Base interactions energy: -329.601
where: short stacking energy: -135.499
Base-Backbone interact. energy: -0.491
local terms energy: -134.683171
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -35.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -430.437147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.437147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.437147 (E_RNA)
where:
Base-Base interactions energy: -298.491
where: short stacking energy: -130.271
Base-Backbone interact. energy: -0.356
local terms energy: -131.589651
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -31.990
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -31.511
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: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -364.375001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.375001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.375001 (E_RNA)
where:
Base-Base interactions energy: -244.167
where: short stacking energy: -108.519
Base-Backbone interact. energy: -0.508
local terms energy: -119.699320
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -28.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -333.608715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.608715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.608715 (E_RNA)
where:
Base-Base interactions energy: -225.024
where: short stacking energy: -102.844
Base-Backbone interact. energy: -0.169
local terms energy: -108.415296
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -24.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -286.839622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.839622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.839622 (E_RNA)
where:
Base-Base interactions energy: -176.674
where: short stacking energy: -93.663
Base-Backbone interact. energy: -1.088
local terms energy: -109.078111
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -252.229785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.229785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.229785 (E_RNA)
where:
Base-Base interactions energy: -161.553
where: short stacking energy: -87.398
Base-Backbone interact. energy: 0.018
local terms energy: -90.694824
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -8.969
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: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -275.521686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.521686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.521686 (E_RNA)
where:
Base-Base interactions energy: -174.941
where: short stacking energy: -91.635
Base-Backbone interact. energy: 0.511
local terms energy: -101.091117
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -490.241979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.241979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.241979 (E_RNA)
where:
Base-Base interactions energy: -342.406
where: short stacking energy: -146.542
Base-Backbone interact. energy: -0.007
local terms energy: -147.828841
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -40.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -485.748611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.748611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.748611 (E_RNA)
where:
Base-Base interactions energy: -330.094
where: short stacking energy: -152.242
Base-Backbone interact. energy: -0.903
local terms energy: -154.751271
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: -44.571
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: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -457.304902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.304902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.304902 (E_RNA)
where:
Base-Base interactions energy: -316.632
where: short stacking energy: -150.507
Base-Backbone interact. energy: -0.316
local terms energy: -140.357813
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -38.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -475.615313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.615313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.615313 (E_RNA)
where:
Base-Base interactions energy: -328.772
where: short stacking energy: -132.896
Base-Backbone interact. energy: -0.948
local terms energy: -145.895215
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -31.807
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -37.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -436.168359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.168359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.168359 (E_RNA)
where:
Base-Base interactions energy: -302.039
where: short stacking energy: -131.704
Base-Backbone interact. energy: -1.411
local terms energy: -132.718338
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -34.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -368.281013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.281013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.281013 (E_RNA)
where:
Base-Base interactions energy: -254.198
where: short stacking energy: -107.396
Base-Backbone interact. energy: -1.594
local terms energy: -112.488385
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -353.384066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.384066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.384066 (E_RNA)
where:
Base-Base interactions energy: -227.486
where: short stacking energy: -105.797
Base-Backbone interact. energy: -0.196
local terms energy: -125.702099
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -24.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -268.047278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.047278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.047278 (E_RNA)
where:
Base-Base interactions energy: -173.995
where: short stacking energy: -87.512
Base-Backbone interact. energy: -0.325
local terms energy: -93.727582
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -16.789
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: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -285.900535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.900535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.900535 (E_RNA)
where:
Base-Base interactions energy: -184.206
where: short stacking energy: -101.120
Base-Backbone interact. energy: 2.975
local terms energy: -104.669605
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -27.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -262.180473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.180473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.180473 (E_RNA)
where:
Base-Base interactions energy: -166.504
where: short stacking energy: -79.956
Base-Backbone interact. energy: -0.518
local terms energy: -95.157860
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -19.886
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: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -501.402437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.402437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.402437 (E_RNA)
where:
Base-Base interactions energy: -347.749
where: short stacking energy: -156.924
Base-Backbone interact. energy: -0.920
local terms energy: -152.733063
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -45.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -477.696800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.696800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.696800 (E_RNA)
where:
Base-Base interactions energy: -324.254
where: short stacking energy: -145.983
Base-Backbone interact. energy: -0.095
local terms energy: -153.347587
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -43.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -466.081942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.081942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.081942 (E_RNA)
where:
Base-Base interactions energy: -329.281
where: short stacking energy: -156.525
Base-Backbone interact. energy: -0.065
local terms energy: -136.736255
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -40.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -463.407626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.407626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.407626 (E_RNA)
where:
Base-Base interactions energy: -331.917
where: short stacking energy: -132.306
Base-Backbone interact. energy: -0.511
local terms energy: -130.979998
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -36.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -428.255210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.255210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.255210 (E_RNA)
where:
Base-Base interactions energy: -291.497
where: short stacking energy: -130.859
Base-Backbone interact. energy: -1.297
local terms energy: -135.461140
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -36.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -376.198799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.198799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.198799 (E_RNA)
where:
Base-Base interactions energy: -258.271
where: short stacking energy: -116.667
Base-Backbone interact. energy: -0.430
local terms energy: -117.497938
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -355.580723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.580723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.580723 (E_RNA)
where:
Base-Base interactions energy: -247.863
where: short stacking energy: -121.520
Base-Backbone interact. energy: -0.154
local terms energy: -107.563043
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -29.916
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: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -267.962277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.962277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.962277 (E_RNA)
where:
Base-Base interactions energy: -158.576
where: short stacking energy: -80.634
Base-Backbone interact. energy: -2.251
local terms energy: -107.135436
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -287.392236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.392236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.392236 (E_RNA)
where:
Base-Base interactions energy: -193.133
where: short stacking energy: -85.226
Base-Backbone interact. energy: 1.042
local terms energy: -95.300836
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -12.311
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: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -249.387613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.387613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.387613 (E_RNA)
where:
Base-Base interactions energy: -149.392
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.326
local terms energy: -99.670414
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -18.006
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: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -500.206890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.206890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.206890 (E_RNA)
where:
Base-Base interactions energy: -350.699
where: short stacking energy: -156.743
Base-Backbone interact. energy: -0.187
local terms energy: -149.320859
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -42.952
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: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -490.273652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.273652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.273652 (E_RNA)
where:
Base-Base interactions energy: -348.877
where: short stacking energy: -148.935
Base-Backbone interact. energy: -0.123
local terms energy: -141.273858
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -457.179065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.179065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.179065 (E_RNA)
where:
Base-Base interactions energy: -315.183
where: short stacking energy: -148.246
Base-Backbone interact. energy: -0.008
local terms energy: -141.988133
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -42.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -485.577812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.577812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.577812 (E_RNA)
where:
Base-Base interactions energy: -347.020
where: short stacking energy: -147.129
Base-Backbone interact. energy: -1.069
local terms energy: -137.488735
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -28.891
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -36.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -439.269538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.269538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.269538 (E_RNA)
where:
Base-Base interactions energy: -297.409
where: short stacking energy: -125.985
Base-Backbone interact. energy: -0.067
local terms energy: -141.793861
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -32.939
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -34.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -338.296360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.296360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.296360 (E_RNA)
where:
Base-Base interactions energy: -225.264
where: short stacking energy: -88.453
Base-Backbone interact. energy: -0.401
local terms energy: -112.630553
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -374.006290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.006290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.006290 (E_RNA)
where:
Base-Base interactions energy: -246.930
where: short stacking energy: -109.021
Base-Backbone interact. energy: 0.290
local terms energy: -127.366068
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -29.263
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -304.483332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.483332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.483332 (E_RNA)
where:
Base-Base interactions energy: -182.514
where: short stacking energy: -99.817
Base-Backbone interact. energy: -0.742
local terms energy: -121.227399
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -256.976518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.976518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.976518 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -86.502
Base-Backbone interact. energy: 1.943
local terms energy: -98.215178
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -12.850
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: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -276.409646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.409646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.409646 (E_RNA)
where:
Base-Base interactions energy: -182.552
where: short stacking energy: -89.242
Base-Backbone interact. energy: -0.608
local terms energy: -93.249667
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -15.131
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: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -491.036890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.036890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.036890 (E_RNA)
where:
Base-Base interactions energy: -344.367
where: short stacking energy: -156.979
Base-Backbone interact. energy: -2.697
local terms energy: -143.973345
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -40.487
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: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -491.168801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.168801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.168801 (E_RNA)
where:
Base-Base interactions energy: -346.525
where: short stacking energy: -163.899
Base-Backbone interact. energy: -0.005
local terms energy: -144.638026
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: -40.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -482.480159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.480159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.480159 (E_RNA)
where:
Base-Base interactions energy: -350.739
where: short stacking energy: -139.679
Base-Backbone interact. energy: -0.802
local terms energy: -130.939065
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -34.732
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: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -460.781944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.781944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.781944 (E_RNA)
where:
Base-Base interactions energy: -321.235
where: short stacking energy: -153.896
Base-Backbone interact. energy: -0.049
local terms energy: -139.498164
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -43.691
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: 254
Temperature: 1.100000
Total energy: -435.160306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.160306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.160306 (E_RNA)
where:
Base-Base interactions energy: -304.061
where: short stacking energy: -132.943
Base-Backbone interact. energy: -0.221
local terms energy: -130.878176
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -36.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -339.819435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.819435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.819435 (E_RNA)
where:
Base-Base interactions energy: -243.726
where: short stacking energy: -98.498
Base-Backbone interact. energy: -0.154
local terms energy: -95.938534
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -361.198047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.198047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.198047 (E_RNA)
where:
Base-Base interactions energy: -258.830
where: short stacking energy: -117.321
Base-Backbone interact. energy: -0.150
local terms energy: -102.217928
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -25.718
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: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -334.864692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.864692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.864692 (E_RNA)
where:
Base-Base interactions energy: -228.210
where: short stacking energy: -114.078
Base-Backbone interact. energy: -0.099
local terms energy: -106.554730
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -29.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -274.245706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.245706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.245706 (E_RNA)
where:
Base-Base interactions energy: -171.324
where: short stacking energy: -89.123
Base-Backbone interact. energy: -0.320
local terms energy: -102.601309
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -11.007
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: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -256.533558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.533558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.533558 (E_RNA)
where:
Base-Base interactions energy: -157.022
where: short stacking energy: -74.547
Base-Backbone interact. energy: -1.046
local terms energy: -98.466172
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -6.644
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -497.340437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.340437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.340437 (E_RNA)
where:
Base-Base interactions energy: -362.755
where: short stacking energy: -164.413
Base-Backbone interact. energy: 0.367
local terms energy: -134.952237
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -40.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -486.781434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.781434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.781434 (E_RNA)
where:
Base-Base interactions energy: -333.619
where: short stacking energy: -154.594
Base-Backbone interact. energy: -0.360
local terms energy: -152.802289
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -29.420
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -470.446456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.446456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.446456 (E_RNA)
where:
Base-Base interactions energy: -339.721
where: short stacking energy: -138.131
Base-Backbone interact. energy: -1.519
local terms energy: -129.206107
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -37.296
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -442.488284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.488284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.488284 (E_RNA)
where:
Base-Base interactions energy: -302.711
where: short stacking energy: -144.658
Base-Backbone interact. energy: -0.894
local terms energy: -138.883868
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -38.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -453.698414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.698414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.698414 (E_RNA)
where:
Base-Base interactions energy: -310.231
where: short stacking energy: -136.276
Base-Backbone interact. energy: -0.015
local terms energy: -143.452186
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -21.571
tors. eta vs tors. theta energy: -35.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -366.649299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.649299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.649299 (E_RNA)
where:
Base-Base interactions energy: -247.997
where: short stacking energy: -119.170
Base-Backbone interact. energy: 0.668
local terms energy: -119.320944
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -29.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -328.221525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.221525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.221525 (E_RNA)
where:
Base-Base interactions energy: -225.864
where: short stacking energy: -99.158
Base-Backbone interact. energy: -1.604
local terms energy: -100.753608
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -355.464208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.464208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.464208 (E_RNA)
where:
Base-Base interactions energy: -238.041
where: short stacking energy: -117.137
Base-Backbone interact. energy: -1.059
local terms energy: -116.364003
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -31.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -277.214594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.214594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.214594 (E_RNA)
where:
Base-Base interactions energy: -173.124
where: short stacking energy: -84.254
Base-Backbone interact. energy: -0.390
local terms energy: -103.700703
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -8.797
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: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -260.631353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.631353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.631353 (E_RNA)
where:
Base-Base interactions energy: -165.329
where: short stacking energy: -85.733
Base-Backbone interact. energy: -0.289
local terms energy: -95.013063
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -492.443626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.443626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.443626 (E_RNA)
where:
Base-Base interactions energy: -340.866
where: short stacking energy: -152.727
Base-Backbone interact. energy: -1.075
local terms energy: -150.502890
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -42.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -475.159649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.159649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.159649 (E_RNA)
where:
Base-Base interactions energy: -336.462
where: short stacking energy: -150.264
Base-Backbone interact. energy: -0.108
local terms energy: -138.590059
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -32.501
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -471.456399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.456399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.456399 (E_RNA)
where:
Base-Base interactions energy: -331.981
where: short stacking energy: -138.411
Base-Backbone interact. energy: -0.774
local terms energy: -138.702022
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -36.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -444.691578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.691578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.691578 (E_RNA)
where:
Base-Base interactions energy: -297.303
where: short stacking energy: -131.924
Base-Backbone interact. energy: -1.040
local terms energy: -146.348440
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -39.690
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -428.885893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.885893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.885893 (E_RNA)
where:
Base-Base interactions energy: -295.656
where: short stacking energy: -129.516
Base-Backbone interact. energy: -0.866
local terms energy: -132.364336
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -33.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -369.357869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.357869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.357869 (E_RNA)
where:
Base-Base interactions energy: -254.675
where: short stacking energy: -121.258
Base-Backbone interact. energy: -1.058
local terms energy: -113.624937
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -345.515089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.515089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.515089 (E_RNA)
where:
Base-Base interactions energy: -241.519
where: short stacking energy: -114.853
Base-Backbone interact. energy: -0.033
local terms energy: -103.963526
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -318.510959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.510959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.510959 (E_RNA)
where:
Base-Base interactions energy: -213.776
where: short stacking energy: -88.210
Base-Backbone interact. energy: -0.900
local terms energy: -103.835276
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -14.340
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: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -307.261706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.261706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.261706 (E_RNA)
where:
Base-Base interactions energy: -190.796
where: short stacking energy: -91.453
Base-Backbone interact. energy: -0.063
local terms energy: -116.402922
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -24.601
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: 256
Temperature: 1.350000
Total energy: -259.844045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.844045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.844045 (E_RNA)
where:
Base-Base interactions energy: -164.958
where: short stacking energy: -80.359
Base-Backbone interact. energy: -0.259
local terms energy: -94.627168
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -13.763
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: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -482.168117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.168117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.168117 (E_RNA)
where:
Base-Base interactions energy: -339.307
where: short stacking energy: -147.585
Base-Backbone interact. energy: -0.013
local terms energy: -142.847642
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -38.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -484.536966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.536966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.536966 (E_RNA)
where:
Base-Base interactions energy: -348.412
where: short stacking energy: -145.153
Base-Backbone interact. energy: -0.644
local terms energy: -135.481192
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -35.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -469.608095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.608095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.608095 (E_RNA)
where:
Base-Base interactions energy: -326.477
where: short stacking energy: -142.225
Base-Backbone interact. energy: -0.370
local terms energy: -142.760450
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -36.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -451.856591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.856591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.856591 (E_RNA)
where:
Base-Base interactions energy: -314.822
where: short stacking energy: -145.214
Base-Backbone interact. energy: -0.547
local terms energy: -136.486867
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -41.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -433.809972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.809972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.809972 (E_RNA)
where:
Base-Base interactions energy: -299.847
where: short stacking energy: -132.644
Base-Backbone interact. energy: -2.304
local terms energy: -131.658207
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -38.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -365.978660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.978660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.978660 (E_RNA)
where:
Base-Base interactions energy: -249.678
where: short stacking energy: -113.532
Base-Backbone interact. energy: -0.399
local terms energy: -115.901663
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -17.668
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: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -326.222925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.222925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.222925 (E_RNA)
where:
Base-Base interactions energy: -208.908
where: short stacking energy: -106.535
Base-Backbone interact. energy: -0.623
local terms energy: -116.692095
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -305.691874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.691874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.691874 (E_RNA)
where:
Base-Base interactions energy: -207.276
where: short stacking energy: -102.353
Base-Backbone interact. energy: -0.283
local terms energy: -98.133361
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -315.667514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.667514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.667514 (E_RNA)
where:
Base-Base interactions energy: -218.587
where: short stacking energy: -94.947
Base-Backbone interact. energy: -0.724
local terms energy: -96.356830
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -276.688972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.688972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.688972 (E_RNA)
where:
Base-Base interactions energy: -180.142
where: short stacking energy: -101.793
Base-Backbone interact. energy: -0.976
local terms energy: -95.570409
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -494.743640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.743640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.743640 (E_RNA)
where:
Base-Base interactions energy: -353.247
where: short stacking energy: -150.197
Base-Backbone interact. energy: -0.519
local terms energy: -140.977719
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -41.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -475.162496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.162496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.162496 (E_RNA)
where:
Base-Base interactions energy: -342.581
where: short stacking energy: -152.002
Base-Backbone interact. energy: -0.204
local terms energy: -132.377584
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -36.791
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: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -451.284258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.284258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.284258 (E_RNA)
where:
Base-Base interactions energy: -310.290
where: short stacking energy: -145.412
Base-Backbone interact. energy: -0.294
local terms energy: -140.700817
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -39.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -453.360066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.360066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.360066 (E_RNA)
where:
Base-Base interactions energy: -316.906
where: short stacking energy: -135.446
Base-Backbone interact. energy: -0.646
local terms energy: -135.808949
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -29.574
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -32.251
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: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -420.164881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.164881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.164881 (E_RNA)
where:
Base-Base interactions energy: -301.839
where: short stacking energy: -119.902
Base-Backbone interact. energy: -1.776
local terms energy: -116.549265
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -31.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -355.433156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.433156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.433156 (E_RNA)
where:
Base-Base interactions energy: -239.131
where: short stacking energy: -106.192
Base-Backbone interact. energy: -0.339
local terms energy: -115.963310
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -325.072753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.072753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.072753 (E_RNA)
where:
Base-Base interactions energy: -206.016
where: short stacking energy: -95.181
Base-Backbone interact. energy: 0.243
local terms energy: -119.299298
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -315.611157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.611157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.611157 (E_RNA)
where:
Base-Base interactions energy: -214.192
where: short stacking energy: -97.557
Base-Backbone interact. energy: 0.749
local terms energy: -102.167918
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -16.519
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: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -319.859058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.859058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.859058 (E_RNA)
where:
Base-Base interactions energy: -206.137
where: short stacking energy: -93.887
Base-Backbone interact. energy: -0.308
local terms energy: -113.413934
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -265.010646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.010646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.010646 (E_RNA)
where:
Base-Base interactions energy: -173.237
where: short stacking energy: -79.864
Base-Backbone interact. energy: 2.159
local terms energy: -93.932706
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -13.972
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: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -497.149895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.149895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.149895 (E_RNA)
where:
Base-Base interactions energy: -348.734
where: short stacking energy: -148.997
Base-Backbone interact. energy: 0.659
local terms energy: -149.074939
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -484.900644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.900644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.900644 (E_RNA)
where:
Base-Base interactions energy: -347.020
where: short stacking energy: -145.060
Base-Backbone interact. energy: -1.341
local terms energy: -136.539526
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: -35.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -464.114470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.114470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.114470 (E_RNA)
where:
Base-Base interactions energy: -329.322
where: short stacking energy: -159.401
Base-Backbone interact. energy: -1.737
local terms energy: -133.055082
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -45.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -445.358320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.358320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.358320 (E_RNA)
where:
Base-Base interactions energy: -296.208
where: short stacking energy: -138.930
Base-Backbone interact. energy: -0.291
local terms energy: -148.858892
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -40.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -452.455423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.455423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.455423 (E_RNA)
where:
Base-Base interactions energy: -309.485
where: short stacking energy: -143.360
Base-Backbone interact. energy: -0.138
local terms energy: -142.832949
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -37.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -369.463775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.463775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.463775 (E_RNA)
where:
Base-Base interactions energy: -248.839
where: short stacking energy: -101.786
Base-Backbone interact. energy: 0.056
local terms energy: -120.681170
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -29.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -316.981387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.981387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.981387 (E_RNA)
where:
Base-Base interactions energy: -211.404
where: short stacking energy: -99.640
Base-Backbone interact. energy: -0.930
local terms energy: -104.647295
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -22.515
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: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -355.456582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.456582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.456582 (E_RNA)
where:
Base-Base interactions energy: -247.151
where: short stacking energy: -110.375
Base-Backbone interact. energy: -0.498
local terms energy: -107.808000
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -30.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -311.471368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.471368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.471368 (E_RNA)
where:
Base-Base interactions energy: -212.322
where: short stacking energy: -98.484
Base-Backbone interact. energy: -1.473
local terms energy: -97.675737
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -263.482348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.482348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.482348 (E_RNA)
where:
Base-Base interactions energy: -170.864
where: short stacking energy: -88.400
Base-Backbone interact. energy: -0.117
local terms energy: -92.501776
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -495.637785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.637785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.637785 (E_RNA)
where:
Base-Base interactions energy: -354.320
where: short stacking energy: -145.544
Base-Backbone interact. energy: -1.030
local terms energy: -140.288435
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -26.796
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -40.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -497.876986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.876986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.876986 (E_RNA)
where:
Base-Base interactions energy: -346.287
where: short stacking energy: -158.344
Base-Backbone interact. energy: -0.376
local terms energy: -151.214321
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -34.242
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -42.952
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: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -452.399981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.399981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.399981 (E_RNA)
where:
Base-Base interactions energy: -310.697
where: short stacking energy: -131.058
Base-Backbone interact. energy: -0.261
local terms energy: -141.441566
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -455.001697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.001697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.001697 (E_RNA)
where:
Base-Base interactions energy: -318.532
where: short stacking energy: -144.935
Base-Backbone interact. energy: -1.273
local terms energy: -135.197456
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -39.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -458.430903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.430903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.430903 (E_RNA)
where:
Base-Base interactions energy: -323.078
where: short stacking energy: -146.289
Base-Backbone interact. energy: -0.044
local terms energy: -135.309380
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -27.339
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -38.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -374.910534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.910534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.910534 (E_RNA)
where:
Base-Base interactions energy: -254.313
where: short stacking energy: -114.272
Base-Backbone interact. energy: -0.861
local terms energy: -119.736292
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -28.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -364.819126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.819126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.819126 (E_RNA)
where:
Base-Base interactions energy: -242.071
where: short stacking energy: -110.533
Base-Backbone interact. energy: -1.323
local terms energy: -121.425069
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -30.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -308.974379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.974379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.974379 (E_RNA)
where:
Base-Base interactions energy: -196.350
where: short stacking energy: -94.920
Base-Backbone interact. energy: -0.292
local terms energy: -112.332116
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -28.173
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -295.918269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.918269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.918269 (E_RNA)
where:
Base-Base interactions energy: -198.499
where: short stacking energy: -91.558
Base-Backbone interact. energy: -0.458
local terms energy: -96.961621
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -259.341402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.341402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.341402 (E_RNA)
where:
Base-Base interactions energy: -170.408
where: short stacking energy: -76.452
Base-Backbone interact. energy: 2.061
local terms energy: -90.993829
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -21.916
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: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -498.820624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.820624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.820624 (E_RNA)
where:
Base-Base interactions energy: -358.127
where: short stacking energy: -149.714
Base-Backbone interact. energy: -0.849
local terms energy: -139.845564
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -26.809
tors. eta vs tors. theta energy: -35.674
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: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -462.122730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.122730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.122730 (E_RNA)
where:
Base-Base interactions energy: -325.453
where: short stacking energy: -150.054
Base-Backbone interact. energy: -0.889
local terms energy: -135.780862
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -26.452
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -39.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -478.632990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.632990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.632990 (E_RNA)
where:
Base-Base interactions energy: -342.857
where: short stacking energy: -150.962
Base-Backbone interact. energy: -0.146
local terms energy: -135.630549
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -23.104
tors. eta vs tors. theta energy: -39.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -447.282771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.282771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.282771 (E_RNA)
where:
Base-Base interactions energy: -313.451
where: short stacking energy: -148.626
Base-Backbone interact. energy: -0.054
local terms energy: -133.778135
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -30.082
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -442.790867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.790867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.790867 (E_RNA)
where:
Base-Base interactions energy: -312.632
where: short stacking energy: -120.875
Base-Backbone interact. energy: 0.323
local terms energy: -130.481523
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -36.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -372.506867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.506867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.506867 (E_RNA)
where:
Base-Base interactions energy: -247.908
where: short stacking energy: -107.830
Base-Backbone interact. energy: -1.615
local terms energy: -122.983829
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -27.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -358.985445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.985445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.985445 (E_RNA)
where:
Base-Base interactions energy: -236.709
where: short stacking energy: -103.946
Base-Backbone interact. energy: -1.696
local terms energy: -120.580879
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -317.625267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.625267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.625267 (E_RNA)
where:
Base-Base interactions energy: -200.686
where: short stacking energy: -96.852
Base-Backbone interact. energy: 0.065
local terms energy: -117.004467
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -300.470408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.470408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.470408 (E_RNA)
where:
Base-Base interactions energy: -196.167
where: short stacking energy: -107.135
Base-Backbone interact. energy: -0.360
local terms energy: -103.943024
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -264.018335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.018335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.018335 (E_RNA)
where:
Base-Base interactions energy: -171.914
where: short stacking energy: -87.384
Base-Backbone interact. energy: 1.466
local terms energy: -93.570550
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -9.926
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: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -482.322135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.322135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.322135 (E_RNA)
where:
Base-Base interactions energy: -338.720
where: short stacking energy: -147.715
Base-Backbone interact. energy: -0.804
local terms energy: -142.797457
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -39.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -483.941958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.941958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.941958 (E_RNA)
where:
Base-Base interactions energy: -339.501
where: short stacking energy: -138.349
Base-Backbone interact. energy: -0.006
local terms energy: -144.435509
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -36.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -482.501089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.501089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.501089 (E_RNA)
where:
Base-Base interactions energy: -329.070
where: short stacking energy: -153.322
Base-Backbone interact. energy: -0.159
local terms energy: -153.272369
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -41.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -439.191875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.191875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.191875 (E_RNA)
where:
Base-Base interactions energy: -299.713
where: short stacking energy: -141.436
Base-Backbone interact. energy: -1.578
local terms energy: -137.900903
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -38.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -449.854477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.854477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.854477 (E_RNA)
where:
Base-Base interactions energy: -312.832
where: short stacking energy: -134.556
Base-Backbone interact. energy: -0.384
local terms energy: -136.637865
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -36.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -366.428833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.428833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.428833 (E_RNA)
where:
Base-Base interactions energy: -244.528
where: short stacking energy: -108.571
Base-Backbone interact. energy: -0.016
local terms energy: -121.885631
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -359.238057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.238057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.238057 (E_RNA)
where:
Base-Base interactions energy: -251.448
where: short stacking energy: -108.843
Base-Backbone interact. energy: -0.182
local terms energy: -107.607649
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -27.740
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: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -273.588469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.588469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.588469 (E_RNA)
where:
Base-Base interactions energy: -193.165
where: short stacking energy: -94.459
Base-Backbone interact. energy: 0.041
local terms energy: -80.463915
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -281.122507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.122507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.122507 (E_RNA)
where:
Base-Base interactions energy: -185.554
where: short stacking energy: -85.634
Base-Backbone interact. energy: -0.213
local terms energy: -95.354950
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -262.151791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.151791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.151791 (E_RNA)
where:
Base-Base interactions energy: -153.658
where: short stacking energy: -85.486
Base-Backbone interact. energy: -0.741
local terms energy: -107.753077
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -19.732
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: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -480.515752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.515752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.515752 (E_RNA)
where:
Base-Base interactions energy: -333.148
where: short stacking energy: -147.421
Base-Backbone interact. energy: -0.671
local terms energy: -146.696905
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -41.359
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: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -498.005106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.005106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.005106 (E_RNA)
where:
Base-Base interactions energy: -340.125
where: short stacking energy: -160.017
Base-Backbone interact. energy: 0.831
local terms energy: -158.710455
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -26.188
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -481.310914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.310914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.310914 (E_RNA)
where:
Base-Base interactions energy: -343.422
where: short stacking energy: -148.232
Base-Backbone interact. energy: -0.775
local terms energy: -137.113255
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -465.695507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.695507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.695507 (E_RNA)
where:
Base-Base interactions energy: -327.895
where: short stacking energy: -135.693
Base-Backbone interact. energy: -0.888
local terms energy: -136.912959
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -35.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -458.441376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.441376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.441376 (E_RNA)
where:
Base-Base interactions energy: -318.824
where: short stacking energy: -151.579
Base-Backbone interact. energy: -1.247
local terms energy: -138.370530
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -41.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -378.414212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.414212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.414212 (E_RNA)
where:
Base-Base interactions energy: -255.996
where: short stacking energy: -108.619
Base-Backbone interact. energy: -0.376
local terms energy: -122.042773
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -27.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -338.418119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.418119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.418119 (E_RNA)
where:
Base-Base interactions energy: -235.637
where: short stacking energy: -102.213
Base-Backbone interact. energy: -0.506
local terms energy: -102.275158
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -264.051787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.051787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.051787 (E_RNA)
where:
Base-Base interactions energy: -145.874
where: short stacking energy: -74.172
Base-Backbone interact. energy: 1.301
local terms energy: -119.478278
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -19.886
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: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -327.168481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.168481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.168481 (E_RNA)
where:
Base-Base interactions energy: -201.172
where: short stacking energy: -97.097
Base-Backbone interact. energy: -0.397
local terms energy: -125.599815
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -21.845
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: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -271.646590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.646590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.646590 (E_RNA)
where:
Base-Base interactions energy: -168.372
where: short stacking energy: -82.554
Base-Backbone interact. energy: -1.372
local terms energy: -101.903314
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -495.991804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.991804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.991804 (E_RNA)
where:
Base-Base interactions energy: -345.489
where: short stacking energy: -153.711
Base-Backbone interact. energy: -0.082
local terms energy: -150.421144
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -43.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -467.160654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.160654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.160654 (E_RNA)
where:
Base-Base interactions energy: -321.726
where: short stacking energy: -145.215
Base-Backbone interact. energy: -0.586
local terms energy: -144.848503
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -41.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -475.348852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.348852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.348852 (E_RNA)
where:
Base-Base interactions energy: -346.109
where: short stacking energy: -144.270
Base-Backbone interact. energy: -1.006
local terms energy: -128.233390
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -40.182
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: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -462.009040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.009040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.009040 (E_RNA)
where:
Base-Base interactions energy: -329.942
where: short stacking energy: -148.608
Base-Backbone interact. energy: -0.290
local terms energy: -131.777363
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -39.005
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: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -435.457432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.457432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.457432 (E_RNA)
where:
Base-Base interactions energy: -298.467
where: short stacking energy: -135.470
Base-Backbone interact. energy: -0.013
local terms energy: -136.977181
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -29.458
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -40.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -379.949861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.949861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.949861 (E_RNA)
where:
Base-Base interactions energy: -255.811
where: short stacking energy: -116.093
Base-Backbone interact. energy: -2.462
local terms energy: -121.676312
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -28.701
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -361.077101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.077101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.077101 (E_RNA)
where:
Base-Base interactions energy: -245.927
where: short stacking energy: -103.786
Base-Backbone interact. energy: -0.232
local terms energy: -114.918284
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -257.049084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.049084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.049084 (E_RNA)
where:
Base-Base interactions energy: -152.128
where: short stacking energy: -78.622
Base-Backbone interact. energy: -0.203
local terms energy: -104.718086
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -295.958000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.958000 (E_RNA)
where:
Base-Base interactions energy: -185.947
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.311
local terms energy: -109.699379
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -22.591
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -265.419543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.419543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.419543 (E_RNA)
where:
Base-Base interactions energy: -165.938
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.463
local terms energy: -99.018559
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -18.810
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: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -492.226551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.226551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.226551 (E_RNA)
where:
Base-Base interactions energy: -342.326
where: short stacking energy: -157.676
Base-Backbone interact. energy: 0.793
local terms energy: -150.694290
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -42.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -494.161201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.161201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.161201 (E_RNA)
where:
Base-Base interactions energy: -357.574
where: short stacking energy: -149.910
Base-Backbone interact. energy: -1.610
local terms energy: -134.977412
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -39.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -453.822127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.822127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.822127 (E_RNA)
where:
Base-Base interactions energy: -305.470
where: short stacking energy: -141.076
Base-Backbone interact. energy: -0.527
local terms energy: -147.825387
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -40.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -442.571394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.571394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.571394 (E_RNA)
where:
Base-Base interactions energy: -304.600
where: short stacking energy: -142.729
Base-Backbone interact. energy: -1.453
local terms energy: -136.518342
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -38.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -468.844030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.844030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.844030 (E_RNA)
where:
Base-Base interactions energy: -336.096
where: short stacking energy: -148.081
Base-Backbone interact. energy: -0.255
local terms energy: -132.493014
where:
bonds (distance) C4'-P energy: -28.779
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -37.597
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: 265
Temperature: 1.150000
Total energy: -363.550235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.550235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.550235 (E_RNA)
where:
Base-Base interactions energy: -244.572
where: short stacking energy: -116.930
Base-Backbone interact. energy: -0.074
local terms energy: -118.904047
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -371.113443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.113443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.113443 (E_RNA)
where:
Base-Base interactions energy: -247.619
where: short stacking energy: -111.937
Base-Backbone interact. energy: -0.275
local terms energy: -123.218934
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -31.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -297.036545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.036545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.036545 (E_RNA)
where:
Base-Base interactions energy: -186.126
where: short stacking energy: -97.676
Base-Backbone interact. energy: -1.134
local terms energy: -109.776447
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -25.464
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: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -261.061964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.061964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.061964 (E_RNA)
where:
Base-Base interactions energy: -166.313
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.481
local terms energy: -94.267735
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -247.083471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.083471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.083471 (E_RNA)
where:
Base-Base interactions energy: -164.656
where: short stacking energy: -85.065
Base-Backbone interact. energy: 0.015
local terms energy: -82.442942
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -486.271542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.271542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.271542 (E_RNA)
where:
Base-Base interactions energy: -338.590
where: short stacking energy: -153.761
Base-Backbone interact. energy: -0.152
local terms energy: -147.530149
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -40.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -495.538237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.538237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.538237 (E_RNA)
where:
Base-Base interactions energy: -350.958
where: short stacking energy: -149.544
Base-Backbone interact. energy: -0.449
local terms energy: -144.131508
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -41.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -460.397308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.397308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.397308 (E_RNA)
where:
Base-Base interactions energy: -325.641
where: short stacking energy: -152.608
Base-Backbone interact. energy: 1.081
local terms energy: -135.837228
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -42.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -452.863058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.863058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.863058 (E_RNA)
where:
Base-Base interactions energy: -321.085
where: short stacking energy: -134.695
Base-Backbone interact. energy: -0.463
local terms energy: -131.314919
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -35.596
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: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -460.536020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.536020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.536020 (E_RNA)
where:
Base-Base interactions energy: -320.947
where: short stacking energy: -143.081
Base-Backbone interact. energy: -0.769
local terms energy: -138.820365
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -36.408
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: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -354.615816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.615816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.615816 (E_RNA)
where:
Base-Base interactions energy: -231.285
where: short stacking energy: -113.031
Base-Backbone interact. energy: -0.144
local terms energy: -123.186873
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -356.425741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.425741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.425741 (E_RNA)
where:
Base-Base interactions energy: -232.483
where: short stacking energy: -106.411
Base-Backbone interact. energy: -0.147
local terms energy: -123.795154
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -33.515
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: 266
Temperature: 1.250000
Total energy: -307.604436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.604436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.604436 (E_RNA)
where:
Base-Base interactions energy: -205.533
where: short stacking energy: -93.955
Base-Backbone interact. energy: -0.414
local terms energy: -101.657595
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -278.857901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.857901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.857901 (E_RNA)
where:
Base-Base interactions energy: -175.348
where: short stacking energy: -100.772
Base-Backbone interact. energy: -0.152
local terms energy: -103.357093
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -254.178482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.178482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.178482 (E_RNA)
where:
Base-Base interactions energy: -161.919
where: short stacking energy: -73.318
Base-Backbone interact. energy: -2.336
local terms energy: -89.923223
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -479.699357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.699357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.699357 (E_RNA)
where:
Base-Base interactions energy: -334.460
where: short stacking energy: -146.756
Base-Backbone interact. energy: -0.416
local terms energy: -144.823436
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -43.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -497.764163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.764163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.764163 (E_RNA)
where:
Base-Base interactions energy: -355.090
where: short stacking energy: -155.544
Base-Backbone interact. energy: -0.770
local terms energy: -141.904123
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -457.522337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.522337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.522337 (E_RNA)
where:
Base-Base interactions energy: -313.959
where: short stacking energy: -140.334
Base-Backbone interact. energy: -0.045
local terms energy: -143.519075
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -476.597919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.597919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.597919 (E_RNA)
where:
Base-Base interactions energy: -338.745
where: short stacking energy: -152.315
Base-Backbone interact. energy: -0.021
local terms energy: -137.831779
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -40.527
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: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -442.804386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.804386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.804386 (E_RNA)
where:
Base-Base interactions energy: -298.760
where: short stacking energy: -126.602
Base-Backbone interact. energy: -1.465
local terms energy: -142.580169
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -39.062
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: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -353.796016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.796016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.796016 (E_RNA)
where:
Base-Base interactions energy: -239.280
where: short stacking energy: -97.131
Base-Backbone interact. energy: -1.372
local terms energy: -113.143972
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -364.719693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.719693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.719693 (E_RNA)
where:
Base-Base interactions energy: -239.534
where: short stacking energy: -118.479
Base-Backbone interact. energy: -0.068
local terms energy: -125.117611
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -29.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -288.585291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.585291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.585291 (E_RNA)
where:
Base-Base interactions energy: -201.474
where: short stacking energy: -102.285
Base-Backbone interact. energy: -0.727
local terms energy: -86.383645
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -15.211
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: 267
Temperature: 1.300000
Total energy: -306.993279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.993279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.993279 (E_RNA)
where:
Base-Base interactions energy: -208.369
where: short stacking energy: -97.031
Base-Backbone interact. energy: -1.914
local terms energy: -96.709490
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -239.386524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.386524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.386524 (E_RNA)
where:
Base-Base interactions energy: -149.989
where: short stacking energy: -75.018
Base-Backbone interact. energy: 0.959
local terms energy: -90.356841
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -487.158262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.158262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.158262 (E_RNA)
where:
Base-Base interactions energy: -343.328
where: short stacking energy: -145.559
Base-Backbone interact. energy: -1.503
local terms energy: -142.327484
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -34.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -485.009828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.009828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.009828 (E_RNA)
where:
Base-Base interactions energy: -343.697
where: short stacking energy: -144.403
Base-Backbone interact. energy: -0.430
local terms energy: -140.882860
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -40.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -477.289809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.289809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.289809 (E_RNA)
where:
Base-Base interactions energy: -327.735
where: short stacking energy: -152.610
Base-Backbone interact. energy: -0.034
local terms energy: -149.520468
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -40.718
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: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -440.648852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.648852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.648852 (E_RNA)
where:
Base-Base interactions energy: -311.209
where: short stacking energy: -147.436
Base-Backbone interact. energy: -0.818
local terms energy: -128.621949
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -39.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -452.008027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.008027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.008027 (E_RNA)
where:
Base-Base interactions energy: -308.354
where: short stacking energy: -152.314
Base-Backbone interact. energy: -1.053
local terms energy: -142.600572
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -40.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -363.383741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.383741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.383741 (E_RNA)
where:
Base-Base interactions energy: -245.141
where: short stacking energy: -114.482
Base-Backbone interact. energy: 0.272
local terms energy: -118.514830
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -21.895
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: 268
Temperature: 1.200000
Total energy: -348.770325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.770325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.770325 (E_RNA)
where:
Base-Base interactions energy: -238.284
where: short stacking energy: -115.493
Base-Backbone interact. energy: -0.135
local terms energy: -110.350859
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -263.588321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.588321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.588321 (E_RNA)
where:
Base-Base interactions energy: -173.689
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.164
local terms energy: -89.735163
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -284.733748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.733748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.733748 (E_RNA)
where:
Base-Base interactions energy: -198.274
where: short stacking energy: -82.039
Base-Backbone interact. energy: -0.537
local terms energy: -85.922165
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -2.301
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -248.461236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.461236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.461236 (E_RNA)
where:
Base-Base interactions energy: -151.135
where: short stacking energy: -78.087
Base-Backbone interact. energy: -0.284
local terms energy: -97.042198
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -12.359
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: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -491.365454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.365454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.365454 (E_RNA)
where:
Base-Base interactions energy: -349.747
where: short stacking energy: -145.261
Base-Backbone interact. energy: -1.666
local terms energy: -139.952207
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -37.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -476.487757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.487757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.487757 (E_RNA)
where:
Base-Base interactions energy: -334.108
where: short stacking energy: -149.005
Base-Backbone interact. energy: -0.359
local terms energy: -142.020559
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -37.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -480.220156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.220156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.220156 (E_RNA)
where:
Base-Base interactions energy: -337.923
where: short stacking energy: -140.308
Base-Backbone interact. energy: -0.593
local terms energy: -141.704839
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -37.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -447.330578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.330578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.330578 (E_RNA)
where:
Base-Base interactions energy: -311.703
where: short stacking energy: -141.546
Base-Backbone interact. energy: 0.042
local terms energy: -135.670057
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -39.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -453.262760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.262760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.262760 (E_RNA)
where:
Base-Base interactions energy: -326.293
where: short stacking energy: -155.171
Base-Backbone interact. energy: -0.265
local terms energy: -126.704823
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -28.528
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -43.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -372.093037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.093037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.093037 (E_RNA)
where:
Base-Base interactions energy: -258.679
where: short stacking energy: -118.068
Base-Backbone interact. energy: -0.111
local terms energy: -113.302927
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -29.592
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: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -351.384257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.384257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.384257 (E_RNA)
where:
Base-Base interactions energy: -232.784
where: short stacking energy: -107.464
Base-Backbone interact. energy: -1.386
local terms energy: -117.214283
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -27.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -288.160002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.160002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.160002 (E_RNA)
where:
Base-Base interactions energy: -185.389
where: short stacking energy: -110.294
Base-Backbone interact. energy: -0.964
local terms energy: -101.806478
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -258.651654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.651654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.651654 (E_RNA)
where:
Base-Base interactions energy: -156.700
where: short stacking energy: -81.432
Base-Backbone interact. energy: -0.970
local terms energy: -100.981611
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -239.687475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.687475 (E_RNA)
where:
Base-Base interactions energy: -149.883
where: short stacking energy: -70.599
Base-Backbone interact. energy: -0.306
local terms energy: -89.498373
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -503.526978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.526978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.526978 (E_RNA)
where:
Base-Base interactions energy: -347.379
where: short stacking energy: -150.550
Base-Backbone interact. energy: -1.080
local terms energy: -155.067390
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -39.053
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: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -483.723973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.723973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.723973 (E_RNA)
where:
Base-Base interactions energy: -331.710
where: short stacking energy: -156.141
Base-Backbone interact. energy: -0.166
local terms energy: -151.847789
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: -40.638
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -448.003243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.003243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.003243 (E_RNA)
where:
Base-Base interactions energy: -304.367
where: short stacking energy: -129.987
Base-Backbone interact. energy: -0.179
local terms energy: -143.456856
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -35.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -463.642720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.642720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.642720 (E_RNA)
where:
Base-Base interactions energy: -312.521
where: short stacking energy: -142.197
Base-Backbone interact. energy: -0.106
local terms energy: -151.016597
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -38.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -445.386191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.386191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.386191 (E_RNA)
where:
Base-Base interactions energy: -315.509
where: short stacking energy: -128.330
Base-Backbone interact. energy: -0.627
local terms energy: -129.250348
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -39.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -372.439549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.439549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.439549 (E_RNA)
where:
Base-Base interactions energy: -262.629
where: short stacking energy: -108.472
Base-Backbone interact. energy: -0.416
local terms energy: -109.395234
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -31.121
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -301.623134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.623134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.623134 (E_RNA)
where:
Base-Base interactions energy: -197.620
where: short stacking energy: -96.652
Base-Backbone interact. energy: -0.251
local terms energy: -103.752175
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -16.078
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: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -285.139748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.139748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.139748 (E_RNA)
where:
Base-Base interactions energy: -188.120
where: short stacking energy: -111.640
Base-Backbone interact. energy: 1.385
local terms energy: -98.404647
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -262.467093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.467093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.467093 (E_RNA)
where:
Base-Base interactions energy: -159.578
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.500
local terms energy: -102.389748
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -268.157728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.157728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.157728 (E_RNA)
where:
Base-Base interactions energy: -164.723
where: short stacking energy: -84.113
Base-Backbone interact. energy: -1.424
local terms energy: -102.010409
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -493.831159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.831159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.831159 (E_RNA)
where:
Base-Base interactions energy: -349.977
where: short stacking energy: -146.533
Base-Backbone interact. energy: -0.529
local terms energy: -143.325994
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -36.076
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: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -482.320585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.320585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.320585 (E_RNA)
where:
Base-Base interactions energy: -330.285
where: short stacking energy: -150.469
Base-Backbone interact. energy: -0.008
local terms energy: -152.026833
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -42.496
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: 271
Temperature: 1.000000
Total energy: -449.663816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.663816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.663816 (E_RNA)
where:
Base-Base interactions energy: -310.141
where: short stacking energy: -142.432
Base-Backbone interact. energy: 1.002
local terms energy: -140.524544
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -38.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -446.183880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.183880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.183880 (E_RNA)
where:
Base-Base interactions energy: -312.851
where: short stacking energy: -136.670
Base-Backbone interact. energy: -0.570
local terms energy: -132.762882
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -40.789
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -437.670236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.670236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.670236 (E_RNA)
where:
Base-Base interactions energy: -304.641
where: short stacking energy: -138.671
Base-Backbone interact. energy: -0.448
local terms energy: -132.580463
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -37.293
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -398.471127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.471127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.471127 (E_RNA)
where:
Base-Base interactions energy: -271.714
where: short stacking energy: -141.725
Base-Backbone interact. energy: -1.034
local terms energy: -125.722989
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -304.588643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.588643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.588643 (E_RNA)
where:
Base-Base interactions energy: -198.398
where: short stacking energy: -97.532
Base-Backbone interact. energy: 0.296
local terms energy: -106.486515
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -12.265
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: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -269.245057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.245057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.245057 (E_RNA)
where:
Base-Base interactions energy: -159.343
where: short stacking energy: -91.978
Base-Backbone interact. energy: -0.178
local terms energy: -109.723950
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -22.888
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -21.369
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -276.660698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.660698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.660698 (E_RNA)
where:
Base-Base interactions energy: -174.726
where: short stacking energy: -91.377
Base-Backbone interact. energy: -0.803
local terms energy: -101.132327
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -13.095
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: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -246.891007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.891007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.891007 (E_RNA)
where:
Base-Base interactions energy: -150.204
where: short stacking energy: -71.380
Base-Backbone interact. energy: 1.134
local terms energy: -97.821067
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -496.141668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.141668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.141668 (E_RNA)
where:
Base-Base interactions energy: -350.476
where: short stacking energy: -153.859
Base-Backbone interact. energy: -0.013
local terms energy: -145.653317
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -43.473
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: 272
Temperature: 0.950000
Total energy: -483.771373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.771373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.771373 (E_RNA)
where:
Base-Base interactions energy: -345.812
where: short stacking energy: -138.515
Base-Backbone interact. energy: -1.006
local terms energy: -136.953098
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -32.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -451.731705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.731705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.731705 (E_RNA)
where:
Base-Base interactions energy: -313.380
where: short stacking energy: -138.205
Base-Backbone interact. energy: -0.350
local terms energy: -138.001920
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -35.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -468.332724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.332724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.332724 (E_RNA)
where:
Base-Base interactions energy: -329.655
where: short stacking energy: -157.166
Base-Backbone interact. energy: -1.702
local terms energy: -136.974738
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -43.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -442.097162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.097162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.097162 (E_RNA)
where:
Base-Base interactions energy: -307.808
where: short stacking energy: -134.316
Base-Backbone interact. energy: -0.764
local terms energy: -133.525584
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -38.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -355.897030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.897030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.897030 (E_RNA)
where:
Base-Base interactions energy: -236.281
where: short stacking energy: -111.608
Base-Backbone interact. energy: -0.048
local terms energy: -119.568203
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -26.672
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: 272
Temperature: 1.200000
Total energy: -297.896399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.896399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.896399 (E_RNA)
where:
Base-Base interactions energy: -179.814
where: short stacking energy: -99.588
Base-Backbone interact. energy: -0.968
local terms energy: -117.114856
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -20.722
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: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -274.101757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.101757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.101757 (E_RNA)
where:
Base-Base interactions energy: -173.469
where: short stacking energy: -83.658
Base-Backbone interact. energy: -1.285
local terms energy: -99.347839
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -256.934902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.934902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.934902 (E_RNA)
where:
Base-Base interactions energy: -154.374
where: short stacking energy: -87.957
Base-Backbone interact. energy: -0.074
local terms energy: -102.486321
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -12.079
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: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -240.797560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.797560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.797560 (E_RNA)
where:
Base-Base interactions energy: -147.963
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.457
local terms energy: -92.377230
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -499.263172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.263172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.263172 (E_RNA)
where:
Base-Base interactions energy: -354.687
where: short stacking energy: -156.594
Base-Backbone interact. energy: 0.374
local terms energy: -144.950202
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -39.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -454.806043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.806043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.806043 (E_RNA)
where:
Base-Base interactions energy: -311.694
where: short stacking energy: -139.343
Base-Backbone interact. energy: -0.642
local terms energy: -142.470370
where:
bonds (distance) C4'-P energy: -28.231
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -481.818082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.818082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.818082 (E_RNA)
where:
Base-Base interactions energy: -344.375
where: short stacking energy: -139.840
Base-Backbone interact. energy: -0.873
local terms energy: -136.570553
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -37.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -462.844744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.844744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.844744 (E_RNA)
where:
Base-Base interactions energy: -317.574
where: short stacking energy: -146.075
Base-Backbone interact. energy: -0.004
local terms energy: -145.266698
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -29.195
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -41.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -447.643123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.643123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.643123 (E_RNA)
where:
Base-Base interactions energy: -313.503
where: short stacking energy: -140.411
Base-Backbone interact. energy: -0.213
local terms energy: -133.926702
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -29.754
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -41.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -369.012908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.012908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.012908 (E_RNA)
where:
Base-Base interactions energy: -243.515
where: short stacking energy: -110.388
Base-Backbone interact. energy: -0.260
local terms energy: -125.237987
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: -29.706
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -281.834709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.834709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.834709 (E_RNA)
where:
Base-Base interactions energy: -179.642
where: short stacking energy: -85.458
Base-Backbone interact. energy: -0.566
local terms energy: -101.626357
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -18.764
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: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -250.474733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.474733 (E_RNA)
where:
Base-Base interactions energy: -146.774
where: short stacking energy: -81.368
Base-Backbone interact. energy: -0.445
local terms energy: -103.255489
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -301.318573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.318573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.318573 (E_RNA)
where:
Base-Base interactions energy: -201.920
where: short stacking energy: -93.695
Base-Backbone interact. energy: -1.329
local terms energy: -98.069197
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -221.624958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.624958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.624958 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -84.342
Base-Backbone interact. energy: -1.043
local terms energy: -79.053988
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -11.400
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: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -493.129905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.129905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.129905 (E_RNA)
where:
Base-Base interactions energy: -341.160
where: short stacking energy: -158.228
Base-Backbone interact. energy: -1.445
local terms energy: -150.524486
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -41.508
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: 274
Temperature: 0.950000
Total energy: -449.649058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.649058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.649058 (E_RNA)
where:
Base-Base interactions energy: -307.215
where: short stacking energy: -139.528
Base-Backbone interact. energy: -0.163
local terms energy: -142.270936
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -37.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -472.076385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.076385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.076385 (E_RNA)
where:
Base-Base interactions energy: -333.594
where: short stacking energy: -141.095
Base-Backbone interact. energy: 0.371
local terms energy: -138.853468
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -462.845433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.845433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.845433 (E_RNA)
where:
Base-Base interactions energy: -313.302
where: short stacking energy: -141.997
Base-Backbone interact. energy: -1.256
local terms energy: -148.287974
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -28.544
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -44.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -451.732746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.732746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.732746 (E_RNA)
where:
Base-Base interactions energy: -311.457
where: short stacking energy: -150.052
Base-Backbone interact. energy: -0.619
local terms energy: -139.656864
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -40.041
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -373.938386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.938386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.938386 (E_RNA)
where:
Base-Base interactions energy: -253.432
where: short stacking energy: -119.885
Base-Backbone interact. energy: 0.235
local terms energy: -120.741905
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -30.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -274.723463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.723463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.723463 (E_RNA)
where:
Base-Base interactions energy: -176.073
where: short stacking energy: -76.663
Base-Backbone interact. energy: 1.588
local terms energy: -100.238542
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -13.557
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -263.526582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.526582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.526582 (E_RNA)
where:
Base-Base interactions energy: -163.123
where: short stacking energy: -85.549
Base-Backbone interact. energy: -0.429
local terms energy: -99.974106
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -258.586133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.586133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.586133 (E_RNA)
where:
Base-Base interactions energy: -170.199
where: short stacking energy: -64.705
Base-Backbone interact. energy: 0.068
local terms energy: -88.454476
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -254.788352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.788352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.788352 (E_RNA)
where:
Base-Base interactions energy: -170.342
where: short stacking energy: -89.222
Base-Backbone interact. energy: -0.551
local terms energy: -83.895672
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -491.250685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.250685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.250685 (E_RNA)
where:
Base-Base interactions energy: -346.056
where: short stacking energy: -154.996
Base-Backbone interact. energy: -0.226
local terms energy: -144.969009
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -41.773
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: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -469.474701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.474701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.474701 (E_RNA)
where:
Base-Base interactions energy: -326.923
where: short stacking energy: -156.554
Base-Backbone interact. energy: -0.273
local terms energy: -142.278997
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -41.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -435.709758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.709758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.709758 (E_RNA)
where:
Base-Base interactions energy: -302.169
where: short stacking energy: -130.052
Base-Backbone interact. energy: -0.336
local terms energy: -133.204837
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -34.387
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: 275
Temperature: 1.050000
Total energy: -466.094781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.094781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.094781 (E_RNA)
where:
Base-Base interactions energy: -319.384
where: short stacking energy: -154.766
Base-Backbone interact. energy: -1.029
local terms energy: -145.682287
where:
bonds (distance) C4'-P energy: -26.693
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -41.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -463.968635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.968635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.968635 (E_RNA)
where:
Base-Base interactions energy: -317.124
where: short stacking energy: -151.374
Base-Backbone interact. energy: 0.169
local terms energy: -147.013477
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -26.642
tors. eta vs tors. theta energy: -42.423
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: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -358.624525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.624525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.624525 (E_RNA)
where:
Base-Base interactions energy: -244.151
where: short stacking energy: -107.088
Base-Backbone interact. energy: -0.843
local terms energy: -113.630289
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -286.450894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.450894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.450894 (E_RNA)
where:
Base-Base interactions energy: -179.056
where: short stacking energy: -88.409
Base-Backbone interact. energy: -0.995
local terms energy: -106.400639
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -21.829
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: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -295.299128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.299128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.299128 (E_RNA)
where:
Base-Base interactions energy: -210.087
where: short stacking energy: -99.397
Base-Backbone interact. energy: -0.988
local terms energy: -84.224306
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -14.568
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: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -225.289416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.289416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.289416 (E_RNA)
where:
Base-Base interactions energy: -135.429
where: short stacking energy: -62.136
Base-Backbone interact. energy: -0.432
local terms energy: -89.427746
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -260.937302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.937302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.937302 (E_RNA)
where:
Base-Base interactions energy: -168.789
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.627
local terms energy: -91.521692
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -477.096660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.096660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.096660 (E_RNA)
where:
Base-Base interactions energy: -332.678
where: short stacking energy: -147.014
Base-Backbone interact. energy: -0.646
local terms energy: -143.772914
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -27.954
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -36.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -488.078977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.078977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.078977 (E_RNA)
where:
Base-Base interactions energy: -342.028
where: short stacking energy: -153.264
Base-Backbone interact. energy: -0.258
local terms energy: -145.792990
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -460.245763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.245763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.245763 (E_RNA)
where:
Base-Base interactions energy: -314.128
where: short stacking energy: -152.750
Base-Backbone interact. energy: -0.371
local terms energy: -145.746280
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -38.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -452.474507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.474507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.474507 (E_RNA)
where:
Base-Base interactions energy: -317.466
where: short stacking energy: -146.190
Base-Backbone interact. energy: -0.972
local terms energy: -134.036239
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -37.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -457.001854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.001854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.001854 (E_RNA)
where:
Base-Base interactions energy: -323.005
where: short stacking energy: -146.140
Base-Backbone interact. energy: -0.595
local terms energy: -133.401591
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -42.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -359.098106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.098106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.098106 (E_RNA)
where:
Base-Base interactions energy: -241.115
where: short stacking energy: -115.415
Base-Backbone interact. energy: -1.632
local terms energy: -116.350817
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -25.517
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: 276
Temperature: 1.200000
Total energy: -303.676775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.676775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.676775 (E_RNA)
where:
Base-Base interactions energy: -192.398
where: short stacking energy: -99.566
Base-Backbone interact. energy: -1.654
local terms energy: -109.624638
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -301.035210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.035210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.035210 (E_RNA)
where:
Base-Base interactions energy: -203.483
where: short stacking energy: -88.755
Base-Backbone interact. energy: 4.885
local terms energy: -102.437388
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -268.022993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.022993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.022993 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -81.236
Base-Backbone interact. energy: 0.334
local terms energy: -102.159189
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -245.354040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.354040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.354040 (E_RNA)
where:
Base-Base interactions energy: -155.301
where: short stacking energy: -84.087
Base-Backbone interact. energy: -0.105
local terms energy: -89.947856
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -485.274893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.274893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.274893 (E_RNA)
where:
Base-Base interactions energy: -343.736
where: short stacking energy: -144.331
Base-Backbone interact. energy: -0.372
local terms energy: -141.166741
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -36.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -482.740930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.740930 (E_RNA)
where:
Base-Base interactions energy: -338.482
where: short stacking energy: -145.243
Base-Backbone interact. energy: -0.335
local terms energy: -143.924402
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -27.259
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -39.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -466.012427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.012427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.012427 (E_RNA)
where:
Base-Base interactions energy: -321.468
where: short stacking energy: -151.604
Base-Backbone interact. energy: -0.344
local terms energy: -144.200365
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -41.482
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: 277
Temperature: 1.050000
Total energy: -451.775098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.775098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.775098 (E_RNA)
where:
Base-Base interactions energy: -313.542
where: short stacking energy: -141.871
Base-Backbone interact. energy: -1.408
local terms energy: -136.825579
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -41.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -436.128964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.128964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.128964 (E_RNA)
where:
Base-Base interactions energy: -302.171
where: short stacking energy: -132.525
Base-Backbone interact. energy: -0.346
local terms energy: -133.612108
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -27.161
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -39.450
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: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -365.597975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.597975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.597975 (E_RNA)
where:
Base-Base interactions energy: -242.108
where: short stacking energy: -121.807
Base-Backbone interact. energy: -0.213
local terms energy: -123.277192
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -26.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -296.299932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.299932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.299932 (E_RNA)
where:
Base-Base interactions energy: -192.964
where: short stacking energy: -84.678
Base-Backbone interact. energy: -0.549
local terms energy: -102.787107
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -279.239266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.239266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.239266 (E_RNA)
where:
Base-Base interactions energy: -169.065
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.985
local terms energy: -109.189233
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -276.389111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.389111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.389111 (E_RNA)
where:
Base-Base interactions energy: -175.170
where: short stacking energy: -100.448
Base-Backbone interact. energy: -0.762
local terms energy: -100.457483
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -24.196
flat angles P-C4'-P energy: -9.867
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: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -247.325656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.325656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.325656 (E_RNA)
where:
Base-Base interactions energy: -158.419
where: short stacking energy: -78.615
Base-Backbone interact. energy: -0.170
local terms energy: -88.736527
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -490.572544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.572544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.572544 (E_RNA)
where:
Base-Base interactions energy: -339.749
where: short stacking energy: -149.730
Base-Backbone interact. energy: -0.454
local terms energy: -150.368987
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -483.361933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.361933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.361933 (E_RNA)
where:
Base-Base interactions energy: -338.543
where: short stacking energy: -155.668
Base-Backbone interact. energy: -0.846
local terms energy: -143.972366
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -474.693884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.693884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.693884 (E_RNA)
where:
Base-Base interactions energy: -341.144
where: short stacking energy: -141.627
Base-Backbone interact. energy: -0.258
local terms energy: -133.291721
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -40.184
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: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -445.824047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.824047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.824047 (E_RNA)
where:
Base-Base interactions energy: -311.743
where: short stacking energy: -141.786
Base-Backbone interact. energy: -0.732
local terms energy: -133.348396
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -42.881
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: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -450.144275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.144275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.144275 (E_RNA)
where:
Base-Base interactions energy: -300.597
where: short stacking energy: -135.381
Base-Backbone interact. energy: -0.714
local terms energy: -148.832966
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -41.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -376.600042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.600042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.600042 (E_RNA)
where:
Base-Base interactions energy: -261.010
where: short stacking energy: -130.902
Base-Backbone interact. energy: -0.400
local terms energy: -115.189730
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -292.017982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.017982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.017982 (E_RNA)
where:
Base-Base interactions energy: -188.995
where: short stacking energy: -103.914
Base-Backbone interact. energy: -0.420
local terms energy: -102.603609
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -15.633
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: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -277.804667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.804667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.804667 (E_RNA)
where:
Base-Base interactions energy: -182.069
where: short stacking energy: -88.589
Base-Backbone interact. energy: -0.343
local terms energy: -95.392659
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -15.940
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: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -271.940462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.940462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.940462 (E_RNA)
where:
Base-Base interactions energy: -174.737
where: short stacking energy: -80.383
Base-Backbone interact. energy: -0.371
local terms energy: -96.832394
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -230.618173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.618173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.618173 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.171
local terms energy: -88.851146
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -24.037
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -13.879
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: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -484.289791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.289791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.289791 (E_RNA)
where:
Base-Base interactions energy: -330.084
where: short stacking energy: -152.289
Base-Backbone interact. energy: -0.738
local terms energy: -153.467686
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -33.439
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -36.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -471.125212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.125212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.125212 (E_RNA)
where:
Base-Base interactions energy: -338.667
where: short stacking energy: -147.067
Base-Backbone interact. energy: -1.125
local terms energy: -131.332990
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -39.223
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: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -469.252296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.252296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.252296 (E_RNA)
where:
Base-Base interactions energy: -327.287
where: short stacking energy: -147.109
Base-Backbone interact. energy: -0.251
local terms energy: -141.714717
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -459.442277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.442277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.442277 (E_RNA)
where:
Base-Base interactions energy: -311.992
where: short stacking energy: -139.840
Base-Backbone interact. energy: -1.481
local terms energy: -145.969066
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -39.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -428.914613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.914613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.914613 (E_RNA)
where:
Base-Base interactions energy: -310.046
where: short stacking energy: -129.250
Base-Backbone interact. energy: -0.739
local terms energy: -118.130352
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -39.053
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: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -358.170678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.170678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.170678 (E_RNA)
where:
Base-Base interactions energy: -242.221
where: short stacking energy: -109.642
Base-Backbone interact. energy: 0.169
local terms energy: -116.118800
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -319.371202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.371202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.371202 (E_RNA)
where:
Base-Base interactions energy: -201.371
where: short stacking energy: -99.593
Base-Backbone interact. energy: 0.549
local terms energy: -118.548596
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -28.699
flat angles P-C4'-P energy: -16.768
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: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -278.369829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.369829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.369829 (E_RNA)
where:
Base-Base interactions energy: -177.550
where: short stacking energy: -91.211
Base-Backbone interact. energy: -1.267
local terms energy: -99.552830
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -261.825672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.825672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.825672 (E_RNA)
where:
Base-Base interactions energy: -169.153
where: short stacking energy: -90.292
Base-Backbone interact. energy: -0.945
local terms energy: -91.727700
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -251.627121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.627121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.627121 (E_RNA)
where:
Base-Base interactions energy: -140.140
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.259
local terms energy: -111.228783
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -480.804312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.804312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.804312 (E_RNA)
where:
Base-Base interactions energy: -335.392
where: short stacking energy: -153.092
Base-Backbone interact. energy: -0.069
local terms energy: -145.343291
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -482.857283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.857283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.857283 (E_RNA)
where:
Base-Base interactions energy: -345.174
where: short stacking energy: -151.778
Base-Backbone interact. energy: -0.213
local terms energy: -137.470125
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -37.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -467.238323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.238323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.238323 (E_RNA)
where:
Base-Base interactions energy: -337.129
where: short stacking energy: -153.085
Base-Backbone interact. energy: -0.182
local terms energy: -129.927521
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -40.685
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: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -467.595451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.595451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.595451 (E_RNA)
where:
Base-Base interactions energy: -324.862
where: short stacking energy: -148.688
Base-Backbone interact. energy: -0.043
local terms energy: -142.689965
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -40.989
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: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -432.362401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.362401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.362401 (E_RNA)
where:
Base-Base interactions energy: -310.553
where: short stacking energy: -141.004
Base-Backbone interact. energy: 0.626
local terms energy: -122.435506
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -31.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -365.067062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.067062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.067062 (E_RNA)
where:
Base-Base interactions energy: -253.296
where: short stacking energy: -103.542
Base-Backbone interact. energy: 0.673
local terms energy: -112.444227
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -21.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -284.582940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.582940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.582940 (E_RNA)
where:
Base-Base interactions energy: -180.818
where: short stacking energy: -95.046
Base-Backbone interact. energy: -0.804
local terms energy: -102.961051
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -20.811
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -330.489948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.489948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.489948 (E_RNA)
where:
Base-Base interactions energy: -223.571
where: short stacking energy: -98.847
Base-Backbone interact. energy: 0.097
local terms energy: -107.015886
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -279.988368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.988368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.988368 (E_RNA)
where:
Base-Base interactions energy: -164.546
where: short stacking energy: -91.822
Base-Backbone interact. energy: -0.286
local terms energy: -115.156922
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -243.213865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.213865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.213865 (E_RNA)
where:
Base-Base interactions energy: -154.228
where: short stacking energy: -84.182
Base-Backbone interact. energy: -0.011
local terms energy: -88.974797
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -501.479610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.479610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.479610 (E_RNA)
where:
Base-Base interactions energy: -348.019
where: short stacking energy: -157.491
Base-Backbone interact. energy: -1.188
local terms energy: -152.272904
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -43.756
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: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -484.833758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.833758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.833758 (E_RNA)
where:
Base-Base interactions energy: -331.703
where: short stacking energy: -148.355
Base-Backbone interact. energy: -1.068
local terms energy: -152.062815
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -42.081
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: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -487.288279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.288279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.288279 (E_RNA)
where:
Base-Base interactions energy: -346.695
where: short stacking energy: -150.651
Base-Backbone interact. energy: -0.067
local terms energy: -140.526160
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -40.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -456.061047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.061047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.061047 (E_RNA)
where:
Base-Base interactions energy: -313.232
where: short stacking energy: -145.505
Base-Backbone interact. energy: -0.045
local terms energy: -142.783429
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -412.510621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.510621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.510621 (E_RNA)
where:
Base-Base interactions energy: -281.419
where: short stacking energy: -132.170
Base-Backbone interact. energy: -0.584
local terms energy: -130.506941
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -39.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -372.241819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.241819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.241819 (E_RNA)
where:
Base-Base interactions energy: -262.274
where: short stacking energy: -111.581
Base-Backbone interact. energy: -0.220
local terms energy: -109.748479
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -25.698
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: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -290.060497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.060497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.060497 (E_RNA)
where:
Base-Base interactions energy: -177.264
where: short stacking energy: -99.817
Base-Backbone interact. energy: -0.708
local terms energy: -112.087959
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -22.780
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -283.877030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.877030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.877030 (E_RNA)
where:
Base-Base interactions energy: -173.920
where: short stacking energy: -90.420
Base-Backbone interact. energy: 0.520
local terms energy: -110.476463
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -334.947436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.947436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.947436 (E_RNA)
where:
Base-Base interactions energy: -227.781
where: short stacking energy: -91.834
Base-Backbone interact. energy: -0.374
local terms energy: -106.792171
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -228.070378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.070378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.070378 (E_RNA)
where:
Base-Base interactions energy: -132.806
where: short stacking energy: -63.938
Base-Backbone interact. energy: -1.673
local terms energy: -93.591727
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -492.811585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.811585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.811585 (E_RNA)
where:
Base-Base interactions energy: -338.361
where: short stacking energy: -152.197
Base-Backbone interact. energy: -0.585
local terms energy: -153.865355
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -47.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -488.079997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.079997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.079997 (E_RNA)
where:
Base-Base interactions energy: -335.132
where: short stacking energy: -157.926
Base-Backbone interact. energy: -0.049
local terms energy: -152.899313
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -33.580
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -447.483849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.483849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.483849 (E_RNA)
where:
Base-Base interactions energy: -311.545
where: short stacking energy: -130.376
Base-Backbone interact. energy: -0.571
local terms energy: -135.367628
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -35.146
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: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -469.543712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.543712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.543712 (E_RNA)
where:
Base-Base interactions energy: -320.469
where: short stacking energy: -142.606
Base-Backbone interact. energy: -0.002
local terms energy: -149.073081
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -41.621
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: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -426.988762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.988762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.988762 (E_RNA)
where:
Base-Base interactions energy: -301.715
where: short stacking energy: -129.681
Base-Backbone interact. energy: -0.238
local terms energy: -125.035776
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -37.590
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: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -370.207892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.207892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.207892 (E_RNA)
where:
Base-Base interactions energy: -252.597
where: short stacking energy: -120.921
Base-Backbone interact. energy: -0.304
local terms energy: -117.307248
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -28.470
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: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -299.669862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.669862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.669862 (E_RNA)
where:
Base-Base interactions energy: -184.358
where: short stacking energy: -104.901
Base-Backbone interact. energy: -0.181
local terms energy: -115.131157
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -24.651
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: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -296.511637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.511637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.511637 (E_RNA)
where:
Base-Base interactions energy: -184.396
where: short stacking energy: -89.229
Base-Backbone interact. energy: -0.658
local terms energy: -111.457771
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -19.050
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: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -324.417939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.417939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.417939 (E_RNA)
where:
Base-Base interactions energy: -220.600
where: short stacking energy: -103.825
Base-Backbone interact. energy: -1.481
local terms energy: -102.336063
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -11.682
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: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -227.856006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.856006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.856006 (E_RNA)
where:
Base-Base interactions energy: -143.971
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.007
local terms energy: -83.878211
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -496.592938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.592938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.592938 (E_RNA)
where:
Base-Base interactions energy: -343.445
where: short stacking energy: -161.434
Base-Backbone interact. energy: -0.404
local terms energy: -152.743901
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -30.806
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -41.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -472.078284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.078284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.078284 (E_RNA)
where:
Base-Base interactions energy: -320.476
where: short stacking energy: -135.890
Base-Backbone interact. energy: -1.250
local terms energy: -150.352260
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -39.290
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: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -477.385380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.385380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.385380 (E_RNA)
where:
Base-Base interactions energy: -341.151
where: short stacking energy: -158.848
Base-Backbone interact. energy: -0.040
local terms energy: -136.194749
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -38.230
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: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -466.583957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.583957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.583957 (E_RNA)
where:
Base-Base interactions energy: -330.039
where: short stacking energy: -146.093
Base-Backbone interact. energy: -0.619
local terms energy: -135.925710
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -38.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -426.010049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.010049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.010049 (E_RNA)
where:
Base-Base interactions energy: -301.497
where: short stacking energy: -134.154
Base-Backbone interact. energy: -1.500
local terms energy: -123.013489
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -31.483
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: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -364.296187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.296187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.296187 (E_RNA)
where:
Base-Base interactions energy: -257.710
where: short stacking energy: -121.251
Base-Backbone interact. energy: -0.951
local terms energy: -105.635375
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -32.917
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: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -303.155575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.155575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.155575 (E_RNA)
where:
Base-Base interactions energy: -191.970
where: short stacking energy: -105.080
Base-Backbone interact. energy: -0.641
local terms energy: -110.544660
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -342.488572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.488572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.488572 (E_RNA)
where:
Base-Base interactions energy: -241.102
where: short stacking energy: -118.232
Base-Backbone interact. energy: 0.427
local terms energy: -101.813147
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -261.524790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.524790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.524790 (E_RNA)
where:
Base-Base interactions energy: -175.400
where: short stacking energy: -82.066
Base-Backbone interact. energy: 1.165
local terms energy: -87.289481
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -10.379
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -224.176872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.176872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.176872 (E_RNA)
where:
Base-Base interactions energy: -131.613
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.918
local terms energy: -91.645654
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -12.480
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -489.146776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.146776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.146776 (E_RNA)
where:
Base-Base interactions energy: -329.347
where: short stacking energy: -153.878
Base-Backbone interact. energy: -0.302
local terms energy: -159.497771
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -45.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -480.867424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.867424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.867424 (E_RNA)
where:
Base-Base interactions energy: -342.162
where: short stacking energy: -150.077
Base-Backbone interact. energy: -1.336
local terms energy: -137.369346
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -41.658
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: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -469.980950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.980950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.980950 (E_RNA)
where:
Base-Base interactions energy: -328.327
where: short stacking energy: -154.820
Base-Backbone interact. energy: -0.042
local terms energy: -141.612703
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -29.380
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -478.323776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.323776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.323776 (E_RNA)
where:
Base-Base interactions energy: -343.552
where: short stacking energy: -160.500
Base-Backbone interact. energy: -0.202
local terms energy: -134.569953
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -25.556
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -41.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -426.121870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.121870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.121870 (E_RNA)
where:
Base-Base interactions energy: -294.312
where: short stacking energy: -133.591
Base-Backbone interact. energy: -0.411
local terms energy: -131.398738
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -37.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -372.380696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.380696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.380696 (E_RNA)
where:
Base-Base interactions energy: -254.604
where: short stacking energy: -111.352
Base-Backbone interact. energy: 0.189
local terms energy: -117.965001
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -354.950284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.950284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.950284 (E_RNA)
where:
Base-Base interactions energy: -241.690
where: short stacking energy: -102.243
Base-Backbone interact. energy: -0.093
local terms energy: -113.167614
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -29.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -304.245537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.245537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.245537 (E_RNA)
where:
Base-Base interactions energy: -185.223
where: short stacking energy: -103.914
Base-Backbone interact. energy: -0.200
local terms energy: -118.822574
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -29.003
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -315.517152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.517152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.517152 (E_RNA)
where:
Base-Base interactions energy: -202.143
where: short stacking energy: -97.359
Base-Backbone interact. energy: -1.477
local terms energy: -111.897480
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -18.011
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -226.137563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.137563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.137563 (E_RNA)
where:
Base-Base interactions energy: -128.924
where: short stacking energy: -74.158
Base-Backbone interact. energy: 0.899
local terms energy: -98.112929
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -28.483
flat angles P-C4'-P energy: -12.777
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: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -481.737329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.737329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.737329 (E_RNA)
where:
Base-Base interactions energy: -325.606
where: short stacking energy: -143.761
Base-Backbone interact. energy: -0.160
local terms energy: -155.971344
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -42.031
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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -481.464481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.464481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.464481 (E_RNA)
where:
Base-Base interactions energy: -337.393
where: short stacking energy: -152.659
Base-Backbone interact. energy: -0.683
local terms energy: -143.388424
where:
bonds (distance) C4'-P energy: -27.376
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -40.975
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: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -456.068253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.068253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.068253 (E_RNA)
where:
Base-Base interactions energy: -314.351
where: short stacking energy: -135.781
Base-Backbone interact. energy: -0.356
local terms energy: -141.361588
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -473.190857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.190857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.190857 (E_RNA)
where:
Base-Base interactions energy: -332.721
where: short stacking energy: -151.000
Base-Backbone interact. energy: -0.527
local terms energy: -139.943014
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -40.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -429.337036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.337036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.337036 (E_RNA)
where:
Base-Base interactions energy: -302.867
where: short stacking energy: -129.419
Base-Backbone interact. energy: -2.048
local terms energy: -124.422543
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -34.427
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: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -371.350588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.350588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.350588 (E_RNA)
where:
Base-Base interactions energy: -249.816
where: short stacking energy: -121.603
Base-Backbone interact. energy: 3.217
local terms energy: -124.751595
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -349.063113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.063113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.063113 (E_RNA)
where:
Base-Base interactions energy: -229.591
where: short stacking energy: -101.836
Base-Backbone interact. energy: -0.634
local terms energy: -118.838858
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -312.122164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.122164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.122164 (E_RNA)
where:
Base-Base interactions energy: -212.888
where: short stacking energy: -94.259
Base-Backbone interact. energy: 3.302
local terms energy: -102.536316
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -269.924388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.924388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.924388 (E_RNA)
where:
Base-Base interactions energy: -165.668
where: short stacking energy: -84.524
Base-Backbone interact. energy: -0.407
local terms energy: -103.849493
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -214.821708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.821708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821708 (E_RNA)
where:
Base-Base interactions energy: -127.847
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.140
local terms energy: -86.834917
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -21.468
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: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -493.731473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.731473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.731473 (E_RNA)
where:
Base-Base interactions energy: -341.356
where: short stacking energy: -149.507
Base-Backbone interact. energy: -0.683
local terms energy: -151.692313
where:
bonds (distance) C4'-P energy: -28.704
bonds (distance) P-C4' energy: -27.401
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -40.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -476.511297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.511297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.511297 (E_RNA)
where:
Base-Base interactions energy: -326.490
where: short stacking energy: -153.504
Base-Backbone interact. energy: -1.440
local terms energy: -148.581176
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -46.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -479.715699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.715699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.715699 (E_RNA)
where:
Base-Base interactions energy: -333.410
where: short stacking energy: -147.315
Base-Backbone interact. energy: 0.106
local terms energy: -146.411908
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -24.631
tors. eta vs tors. theta energy: -40.787
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: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -446.165778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.165778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.165778 (E_RNA)
where:
Base-Base interactions energy: -318.924
where: short stacking energy: -138.369
Base-Backbone interact. energy: -0.382
local terms energy: -126.859667
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -32.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -440.276499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.276499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.276499 (E_RNA)
where:
Base-Base interactions energy: -308.415
where: short stacking energy: -124.676
Base-Backbone interact. energy: -0.173
local terms energy: -131.688259
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -28.146
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -39.985
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -360.198215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.198215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.198215 (E_RNA)
where:
Base-Base interactions energy: -239.759
where: short stacking energy: -105.550
Base-Backbone interact. energy: -1.871
local terms energy: -118.568617
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -29.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -340.312136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.312136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.312136 (E_RNA)
where:
Base-Base interactions energy: -221.333
where: short stacking energy: -105.031
Base-Backbone interact. energy: -0.767
local terms energy: -118.212634
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -27.560
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -320.446241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.446241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.446241 (E_RNA)
where:
Base-Base interactions energy: -215.739
where: short stacking energy: -107.428
Base-Backbone interact. energy: -0.955
local terms energy: -103.752740
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -269.824725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.824725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.824725 (E_RNA)
where:
Base-Base interactions energy: -170.973
where: short stacking energy: -94.778
Base-Backbone interact. energy: 1.893
local terms energy: -100.744419
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -17.960
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: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -254.901114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.901114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.901114 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -77.050
Base-Backbone interact. energy: -1.362
local terms energy: -109.933065
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -15.716
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: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -495.013114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.013114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.013114 (E_RNA)
where:
Base-Base interactions energy: -345.183
where: short stacking energy: -157.839
Base-Backbone interact. energy: -0.042
local terms energy: -149.787419
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -42.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -483.043863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.043863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.043863 (E_RNA)
where:
Base-Base interactions energy: -334.072
where: short stacking energy: -160.270
Base-Backbone interact. energy: -2.256
local terms energy: -146.715923
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -28.962
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -45.428
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -474.219936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.219936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.219936 (E_RNA)
where:
Base-Base interactions energy: -331.272
where: short stacking energy: -142.515
Base-Backbone interact. energy: -1.101
local terms energy: -141.846956
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -40.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -444.057718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.057718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.057718 (E_RNA)
where:
Base-Base interactions energy: -308.925
where: short stacking energy: -135.926
Base-Backbone interact. energy: -0.401
local terms energy: -134.730797
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -37.590
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: 287
Temperature: 1.100000
Total energy: -429.351155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.351155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.351155 (E_RNA)
where:
Base-Base interactions energy: -295.643
where: short stacking energy: -133.283
Base-Backbone interact. energy: 1.128
local terms energy: -134.836193
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -34.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -363.398729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.398729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.398729 (E_RNA)
where:
Base-Base interactions energy: -241.949
where: short stacking energy: -112.929
Base-Backbone interact. energy: -0.330
local terms energy: -121.119878
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -25.153
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: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -358.434972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.434972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.434972 (E_RNA)
where:
Base-Base interactions energy: -233.303
where: short stacking energy: -99.594
Base-Backbone interact. energy: -0.266
local terms energy: -124.865909
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -29.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -312.921182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.921182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.921182 (E_RNA)
where:
Base-Base interactions energy: -204.655
where: short stacking energy: -102.840
Base-Backbone interact. energy: -0.558
local terms energy: -107.708194
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -270.899813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.899813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.899813 (E_RNA)
where:
Base-Base interactions energy: -184.739
where: short stacking energy: -102.157
Base-Backbone interact. energy: -0.185
local terms energy: -85.976772
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -26.563
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -256.823923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.823923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.823923 (E_RNA)
where:
Base-Base interactions energy: -160.873
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.629
local terms energy: -95.321872
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -491.127420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.127420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.127420 (E_RNA)
where:
Base-Base interactions energy: -346.696
where: short stacking energy: -152.701
Base-Backbone interact. energy: -0.853
local terms energy: -143.578422
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -41.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -473.531365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.531365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.531365 (E_RNA)
where:
Base-Base interactions energy: -330.144
where: short stacking energy: -150.433
Base-Backbone interact. energy: -1.540
local terms energy: -141.847825
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -41.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -462.336045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.336045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.336045 (E_RNA)
where:
Base-Base interactions energy: -329.659
where: short stacking energy: -144.752
Base-Backbone interact. energy: -0.263
local terms energy: -132.414356
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -37.227
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: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -437.757639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.757639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.757639 (E_RNA)
where:
Base-Base interactions energy: -306.881
where: short stacking energy: -131.268
Base-Backbone interact. energy: -0.442
local terms energy: -130.434396
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -37.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -431.043444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.043444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.043444 (E_RNA)
where:
Base-Base interactions energy: -296.302
where: short stacking energy: -120.441
Base-Backbone interact. energy: -0.309
local terms energy: -134.432197
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -31.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -353.302970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.302970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.302970 (E_RNA)
where:
Base-Base interactions energy: -241.443
where: short stacking energy: -109.275
Base-Backbone interact. energy: -0.904
local terms energy: -110.956344
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -23.103
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: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -356.468490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.468490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.468490 (E_RNA)
where:
Base-Base interactions energy: -245.597
where: short stacking energy: -115.887
Base-Backbone interact. energy: 0.244
local terms energy: -111.115718
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -326.304821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.304821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.304821 (E_RNA)
where:
Base-Base interactions energy: -221.943
where: short stacking energy: -106.970
Base-Backbone interact. energy: -1.407
local terms energy: -102.954696
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -24.073
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -278.390241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.390241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.390241 (E_RNA)
where:
Base-Base interactions energy: -178.663
where: short stacking energy: -99.715
Base-Backbone interact. energy: 0.981
local terms energy: -100.708617
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -16.971
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: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -236.336251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.336251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.336251 (E_RNA)
where:
Base-Base interactions energy: -147.328
where: short stacking energy: -74.406
Base-Backbone interact. energy: -1.023
local terms energy: -87.984596
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -9.262
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: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -489.444100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.444100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.444100 (E_RNA)
where:
Base-Base interactions energy: -333.712
where: short stacking energy: -149.726
Base-Backbone interact. energy: -0.463
local terms energy: -155.269529
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -32.084
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -46.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -477.096058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.096058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.096058 (E_RNA)
where:
Base-Base interactions energy: -339.010
where: short stacking energy: -159.112
Base-Backbone interact. energy: -0.005
local terms energy: -138.081353
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -38.539
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: 289
Temperature: 1.000000
Total energy: -467.384818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.384818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.384818 (E_RNA)
where:
Base-Base interactions energy: -330.469
where: short stacking energy: -156.595
Base-Backbone interact. energy: 0.757
local terms energy: -137.672707
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -40.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -447.632437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.632437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.632437 (E_RNA)
where:
Base-Base interactions energy: -311.821
where: short stacking energy: -138.081
Base-Backbone interact. energy: -0.263
local terms energy: -135.549205
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -34.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -451.139829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.139829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.139829 (E_RNA)
where:
Base-Base interactions energy: -318.516
where: short stacking energy: -137.933
Base-Backbone interact. energy: -0.434
local terms energy: -132.189871
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -366.447427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.447427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.447427 (E_RNA)
where:
Base-Base interactions energy: -248.103
where: short stacking energy: -109.913
Base-Backbone interact. energy: -0.391
local terms energy: -117.953336
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -355.315483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.315483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.315483 (E_RNA)
where:
Base-Base interactions energy: -235.663
where: short stacking energy: -94.330
Base-Backbone interact. energy: -0.352
local terms energy: -119.300861
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -25.886
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: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -300.212069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.212069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.212069 (E_RNA)
where:
Base-Base interactions energy: -202.863
where: short stacking energy: -101.763
Base-Backbone interact. energy: -0.127
local terms energy: -97.221838
where:
bonds (distance) C4'-P energy: -27.257
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -11.683
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: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -272.512533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.512533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.512533 (E_RNA)
where:
Base-Base interactions energy: -183.570
where: short stacking energy: -98.253
Base-Backbone interact. energy: -0.068
local terms energy: -88.874881
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -250.046502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.046502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.046502 (E_RNA)
where:
Base-Base interactions energy: -156.323
where: short stacking energy: -83.687
Base-Backbone interact. energy: -0.637
local terms energy: -93.085753
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -11.817
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: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -491.177359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.177359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.177359 (E_RNA)
where:
Base-Base interactions energy: -350.806
where: short stacking energy: -167.608
Base-Backbone interact. energy: 1.955
local terms energy: -142.326131
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -45.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -471.861095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.861095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.861095 (E_RNA)
where:
Base-Base interactions energy: -329.567
where: short stacking energy: -157.747
Base-Backbone interact. energy: -0.027
local terms energy: -142.267652
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -469.849308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.849308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.849308 (E_RNA)
where:
Base-Base interactions energy: -319.697
where: short stacking energy: -149.424
Base-Backbone interact. energy: -2.049
local terms energy: -148.103130
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -44.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -439.176322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.176322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.176322 (E_RNA)
where:
Base-Base interactions energy: -311.479
where: short stacking energy: -132.887
Base-Backbone interact. energy: -0.183
local terms energy: -127.515229
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -38.780
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: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -443.292675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.292675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.292675 (E_RNA)
where:
Base-Base interactions energy: -313.434
where: short stacking energy: -150.172
Base-Backbone interact. energy: -0.534
local terms energy: -129.325282
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -37.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -368.612889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.612889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.612889 (E_RNA)
where:
Base-Base interactions energy: -251.153
where: short stacking energy: -103.704
Base-Backbone interact. energy: -0.575
local terms energy: -116.884970
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -27.984
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -332.512799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.512799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.512799 (E_RNA)
where:
Base-Base interactions energy: -223.311
where: short stacking energy: -93.466
Base-Backbone interact. energy: -0.817
local terms energy: -108.384325
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -308.771871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.771871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.771871 (E_RNA)
where:
Base-Base interactions energy: -200.510
where: short stacking energy: -107.161
Base-Backbone interact. energy: 2.193
local terms energy: -110.454881
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -19.952
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: 290
Temperature: 1.300000
Total energy: -264.594021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.594021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.594021 (E_RNA)
where:
Base-Base interactions energy: -163.466
where: short stacking energy: -82.234
Base-Backbone interact. energy: -0.346
local terms energy: -100.781867
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -233.548448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548448 (E_RNA)
where:
Base-Base interactions energy: -144.124
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.398
local terms energy: -89.026070
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -496.091818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.091818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.091818 (E_RNA)
where:
Base-Base interactions energy: -350.137
where: short stacking energy: -162.513
Base-Backbone interact. energy: -0.085
local terms energy: -145.869843
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -28.876
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -481.265445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.265445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.265445 (E_RNA)
where:
Base-Base interactions energy: -339.048
where: short stacking energy: -154.960
Base-Backbone interact. energy: -0.053
local terms energy: -142.164886
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -43.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -477.109620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.109620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.109620 (E_RNA)
where:
Base-Base interactions energy: -321.637
where: short stacking energy: -156.431
Base-Backbone interact. energy: -0.020
local terms energy: -155.453081
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -45.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -462.639600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.639600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.639600 (E_RNA)
where:
Base-Base interactions energy: -314.065
where: short stacking energy: -143.144
Base-Backbone interact. energy: -0.670
local terms energy: -147.903811
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -26.625
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -39.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -440.614605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.614605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.614605 (E_RNA)
where:
Base-Base interactions energy: -304.765
where: short stacking energy: -126.412
Base-Backbone interact. energy: -0.921
local terms energy: -134.928736
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -35.442
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: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -353.937277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.937277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.937277 (E_RNA)
where:
Base-Base interactions energy: -232.835
where: short stacking energy: -101.426
Base-Backbone interact. energy: -0.208
local terms energy: -120.894286
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -27.310
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: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -336.050067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.050067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.050067 (E_RNA)
where:
Base-Base interactions energy: -222.202
where: short stacking energy: -96.800
Base-Backbone interact. energy: -1.660
local terms energy: -112.187205
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -267.006716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.006716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.006716 (E_RNA)
where:
Base-Base interactions energy: -177.215
where: short stacking energy: -83.127
Base-Backbone interact. energy: -0.002
local terms energy: -89.790212
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -13.073
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: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -272.554727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.554727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.554727 (E_RNA)
where:
Base-Base interactions energy: -180.975
where: short stacking energy: -83.696
Base-Backbone interact. energy: 2.478
local terms energy: -94.057701
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -234.671489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.671489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.671489 (E_RNA)
where:
Base-Base interactions energy: -141.150
where: short stacking energy: -74.509
Base-Backbone interact. energy: -1.389
local terms energy: -92.132996
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.181
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -493.343099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.343099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.343099 (E_RNA)
where:
Base-Base interactions energy: -349.235
where: short stacking energy: -164.843
Base-Backbone interact. energy: -0.611
local terms energy: -143.497145
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -40.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -475.734881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.734881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.734881 (E_RNA)
where:
Base-Base interactions energy: -338.662
where: short stacking energy: -153.246
Base-Backbone interact. energy: -1.184
local terms energy: -135.888885
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -44.050
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: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -463.634126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.634126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.634126 (E_RNA)
where:
Base-Base interactions energy: -318.509
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.596
local terms energy: -144.529478
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -44.127
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: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -462.722788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.722788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.722788 (E_RNA)
where:
Base-Base interactions energy: -320.306
where: short stacking energy: -144.332
Base-Backbone interact. energy: -1.369
local terms energy: -141.048598
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -38.154
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: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -417.450161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.450161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.450161 (E_RNA)
where:
Base-Base interactions energy: -292.080
where: short stacking energy: -127.123
Base-Backbone interact. energy: -0.125
local terms energy: -125.245920
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -32.479
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: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -373.863900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.863900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.863900 (E_RNA)
where:
Base-Base interactions energy: -257.452
where: short stacking energy: -126.082
Base-Backbone interact. energy: -0.978
local terms energy: -115.434036
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -364.909821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.909821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.909821 (E_RNA)
where:
Base-Base interactions energy: -242.054
where: short stacking energy: -120.553
Base-Backbone interact. energy: -0.336
local terms energy: -122.519595
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -296.944888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.944888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.944888 (E_RNA)
where:
Base-Base interactions energy: -180.527
where: short stacking energy: -102.258
Base-Backbone interact. energy: -0.354
local terms energy: -116.063650
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -279.487364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.487364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.487364 (E_RNA)
where:
Base-Base interactions energy: -176.550
where: short stacking energy: -83.026
Base-Backbone interact. energy: -1.248
local terms energy: -101.689283
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -19.829
tors. eta vs tors. theta energy: -14.591
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: 292
Temperature: 1.350000
Total energy: -251.572088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.572088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.572088 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -76.799
Base-Backbone interact. energy: -1.228
local terms energy: -93.112940
where:
bonds (distance) C4'-P energy: -22.800
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -12.003
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: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -504.023264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.023264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.023264 (E_RNA)
where:
Base-Base interactions energy: -355.297
where: short stacking energy: -161.288
Base-Backbone interact. energy: -0.190
local terms energy: -148.536406
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -28.874
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -41.290
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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -483.926818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.926818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.926818 (E_RNA)
where:
Base-Base interactions energy: -332.221
where: short stacking energy: -161.142
Base-Backbone interact. energy: -0.002
local terms energy: -151.703525
where:
bonds (distance) C4'-P energy: -29.462
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -39.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -478.205161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.205161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.205161 (E_RNA)
where:
Base-Base interactions energy: -338.271
where: short stacking energy: -149.607
Base-Backbone interact. energy: -0.170
local terms energy: -139.764391
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -42.841
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: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -453.281004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.281004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.281004 (E_RNA)
where:
Base-Base interactions energy: -319.343
where: short stacking energy: -148.247
Base-Backbone interact. energy: -0.076
local terms energy: -133.862143
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -439.030523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.030523 (E_RNA)
where:
Base-Base interactions energy: -298.770
where: short stacking energy: -130.838
Base-Backbone interact. energy: -0.634
local terms energy: -139.626600
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -370.442438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.442438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.442438 (E_RNA)
where:
Base-Base interactions energy: -244.675
where: short stacking energy: -110.312
Base-Backbone interact. energy: -1.624
local terms energy: -124.143314
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -359.346317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.346317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.346317 (E_RNA)
where:
Base-Base interactions energy: -227.288
where: short stacking energy: -107.099
Base-Backbone interact. energy: -0.056
local terms energy: -132.002304
where:
bonds (distance) C4'-P energy: -27.841
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -28.725
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -304.635909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.635909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.635909 (E_RNA)
where:
Base-Base interactions energy: -195.399
where: short stacking energy: -103.405
Base-Backbone interact. energy: -1.448
local terms energy: -107.788140
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -285.383599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.383599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.383599 (E_RNA)
where:
Base-Base interactions energy: -168.747
where: short stacking energy: -94.952
Base-Backbone interact. energy: -0.276
local terms energy: -116.360716
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -248.662760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.662760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.662760 (E_RNA)
where:
Base-Base interactions energy: -158.552
where: short stacking energy: -84.471
Base-Backbone interact. energy: -0.367
local terms energy: -89.743807
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -492.818893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.818893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.818893 (E_RNA)
where:
Base-Base interactions energy: -343.168
where: short stacking energy: -161.009
Base-Backbone interact. energy: -0.804
local terms energy: -148.847219
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -475.590606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.590606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.590606 (E_RNA)
where:
Base-Base interactions energy: -342.185
where: short stacking energy: -148.339
Base-Backbone interact. energy: -0.298
local terms energy: -133.107561
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -37.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -468.510059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.510059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.510059 (E_RNA)
where:
Base-Base interactions energy: -325.801
where: short stacking energy: -154.569
Base-Backbone interact. energy: -0.530
local terms energy: -142.179504
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -43.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -471.949319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.949319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.949319 (E_RNA)
where:
Base-Base interactions energy: -328.890
where: short stacking energy: -149.710
Base-Backbone interact. energy: -0.287
local terms energy: -142.772210
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -39.336
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: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -432.905364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.905364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.905364 (E_RNA)
where:
Base-Base interactions energy: -300.666
where: short stacking energy: -122.440
Base-Backbone interact. energy: -0.294
local terms energy: -131.945493
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -35.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -367.979558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.979558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.979558 (E_RNA)
where:
Base-Base interactions energy: -240.604
where: short stacking energy: -105.536
Base-Backbone interact. energy: 1.437
local terms energy: -128.812030
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -28.733
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: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -355.892660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.892660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.892660 (E_RNA)
where:
Base-Base interactions energy: -233.929
where: short stacking energy: -110.943
Base-Backbone interact. energy: -1.257
local terms energy: -120.705935
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -25.117
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: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -310.045801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.045801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.045801 (E_RNA)
where:
Base-Base interactions energy: -205.960
where: short stacking energy: -104.632
Base-Backbone interact. energy: -0.019
local terms energy: -104.066719
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -259.775873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.775873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.775873 (E_RNA)
where:
Base-Base interactions energy: -170.057
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.170
local terms energy: -89.548787
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -228.680145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.680145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.680145 (E_RNA)
where:
Base-Base interactions energy: -139.844
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.813
local terms energy: -88.023099
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -14.929
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: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -491.098148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.098148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.098148 (E_RNA)
where:
Base-Base interactions energy: -345.107
where: short stacking energy: -162.717
Base-Backbone interact. energy: -0.452
local terms energy: -145.538980
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -44.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -473.304218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.304218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.304218 (E_RNA)
where:
Base-Base interactions energy: -323.013
where: short stacking energy: -156.518
Base-Backbone interact. energy: -1.870
local terms energy: -148.420443
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -471.576060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.576060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.576060 (E_RNA)
where:
Base-Base interactions energy: -328.456
where: short stacking energy: -145.164
Base-Backbone interact. energy: -0.641
local terms energy: -142.478909
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -36.992
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: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -481.726517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.726517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.726517 (E_RNA)
where:
Base-Base interactions energy: -338.680
where: short stacking energy: -153.366
Base-Backbone interact. energy: -1.202
local terms energy: -141.844830
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -41.813
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -450.711616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.711616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.711616 (E_RNA)
where:
Base-Base interactions energy: -305.438
where: short stacking energy: -125.584
Base-Backbone interact. energy: -0.893
local terms energy: -144.380959
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -27.725
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -38.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -364.462977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.462977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.462977 (E_RNA)
where:
Base-Base interactions energy: -252.247
where: short stacking energy: -109.720
Base-Backbone interact. energy: -1.607
local terms energy: -110.608330
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -24.665
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: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -347.456819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.456819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.456819 (E_RNA)
where:
Base-Base interactions energy: -237.193
where: short stacking energy: -104.138
Base-Backbone interact. energy: 1.645
local terms energy: -111.909381
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -260.985216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.985216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.985216 (E_RNA)
where:
Base-Base interactions energy: -158.563
where: short stacking energy: -86.563
Base-Backbone interact. energy: -0.099
local terms energy: -102.322805
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -14.668
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: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -251.217136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.217136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.217136 (E_RNA)
where:
Base-Base interactions energy: -151.264
where: short stacking energy: -72.997
Base-Backbone interact. energy: -0.436
local terms energy: -99.517578
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -13.548
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: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -229.016463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.016463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.016463 (E_RNA)
where:
Base-Base interactions energy: -141.055
where: short stacking energy: -77.866
Base-Backbone interact. energy: 1.155
local terms energy: -89.116620
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -487.870023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.870023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.870023 (E_RNA)
where:
Base-Base interactions energy: -338.063
where: short stacking energy: -163.409
Base-Backbone interact. energy: -0.158
local terms energy: -149.649374
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -22.500
tors. eta vs tors. theta energy: -44.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -483.851420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.851420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.851420 (E_RNA)
where:
Base-Base interactions energy: -327.136
where: short stacking energy: -153.086
Base-Backbone interact. energy: -0.752
local terms energy: -155.962737
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -32.396
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -42.247
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -465.296128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.296128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.296128 (E_RNA)
where:
Base-Base interactions energy: -321.890
where: short stacking energy: -148.362
Base-Backbone interact. energy: -0.010
local terms energy: -143.396042
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -40.701
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: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -448.485694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.485694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.485694 (E_RNA)
where:
Base-Base interactions energy: -306.080
where: short stacking energy: -139.126
Base-Backbone interact. energy: 1.194
local terms energy: -143.599810
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -39.517
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: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -432.942121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.942121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.942121 (E_RNA)
where:
Base-Base interactions energy: -302.121
where: short stacking energy: -134.504
Base-Backbone interact. energy: -0.127
local terms energy: -130.693981
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -39.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -357.989787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.989787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.989787 (E_RNA)
where:
Base-Base interactions energy: -237.431
where: short stacking energy: -118.312
Base-Backbone interact. energy: -0.817
local terms energy: -119.742584
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -26.422
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -355.693672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.693672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.693672 (E_RNA)
where:
Base-Base interactions energy: -234.278
where: short stacking energy: -110.496
Base-Backbone interact. energy: -0.061
local terms energy: -121.354631
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -30.366
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -26.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -264.662205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.662205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.662205 (E_RNA)
where:
Base-Base interactions energy: -166.231
where: short stacking energy: -92.725
Base-Backbone interact. energy: -0.283
local terms energy: -98.148262
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -7.842
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: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -266.394533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.394533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.394533 (E_RNA)
where:
Base-Base interactions energy: -160.512
where: short stacking energy: -80.868
Base-Backbone interact. energy: -1.437
local terms energy: -104.445245
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -256.882505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.882505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.882505 (E_RNA)
where:
Base-Base interactions energy: -159.607
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.187
local terms energy: -97.088112
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -475.943044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.943044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.943044 (E_RNA)
where:
Base-Base interactions energy: -334.515
where: short stacking energy: -155.399
Base-Backbone interact. energy: -0.477
local terms energy: -140.951410
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -43.744
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: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -470.496774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.496774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.496774 (E_RNA)
where:
Base-Base interactions energy: -330.651
where: short stacking energy: -152.681
Base-Backbone interact. energy: -0.058
local terms energy: -139.787389
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -37.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -463.668277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.668277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.668277 (E_RNA)
where:
Base-Base interactions energy: -330.862
where: short stacking energy: -141.395
Base-Backbone interact. energy: -0.237
local terms energy: -132.569341
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -37.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -456.459175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.459175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.459175 (E_RNA)
where:
Base-Base interactions energy: -322.255
where: short stacking energy: -140.066
Base-Backbone interact. energy: -0.891
local terms energy: -133.312735
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -33.701
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: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -435.116403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.116403 (E_RNA)
where:
Base-Base interactions energy: -306.426
where: short stacking energy: -142.431
Base-Backbone interact. energy: 0.944
local terms energy: -129.633998
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -38.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -363.411521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.411521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.411521 (E_RNA)
where:
Base-Base interactions energy: -240.614
where: short stacking energy: -111.896
Base-Backbone interact. energy: -0.350
local terms energy: -122.447872
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -27.954
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -27.357
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: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -363.585993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.585993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.585993 (E_RNA)
where:
Base-Base interactions energy: -249.335
where: short stacking energy: -113.270
Base-Backbone interact. energy: -0.159
local terms energy: -114.091887
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -286.034814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.034814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.034814 (E_RNA)
where:
Base-Base interactions energy: -166.463
where: short stacking energy: -86.838
Base-Backbone interact. energy: -0.816
local terms energy: -118.755550
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -247.321491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.321491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.321491 (E_RNA)
where:
Base-Base interactions energy: -148.444
where: short stacking energy: -84.139
Base-Backbone interact. energy: 0.035
local terms energy: -98.912819
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -10.901
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: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -274.809746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.809746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.809746 (E_RNA)
where:
Base-Base interactions energy: -180.362
where: short stacking energy: -96.241
Base-Backbone interact. energy: -0.553
local terms energy: -93.894946
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -15.251
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: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -473.838315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.838315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.838315 (E_RNA)
where:
Base-Base interactions energy: -321.530
where: short stacking energy: -147.740
Base-Backbone interact. energy: -0.476
local terms energy: -151.832143
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -40.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -484.470313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.470313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.470313 (E_RNA)
where:
Base-Base interactions energy: -334.188
where: short stacking energy: -158.764
Base-Backbone interact. energy: 0.046
local terms energy: -150.328591
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -43.853
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: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -474.946656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.946656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.946656 (E_RNA)
where:
Base-Base interactions energy: -331.574
where: short stacking energy: -153.524
Base-Backbone interact. energy: 0.352
local terms energy: -143.724092
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -42.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -446.859899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.859899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.859899 (E_RNA)
where:
Base-Base interactions energy: -316.828
where: short stacking energy: -141.003
Base-Backbone interact. energy: -0.673
local terms energy: -129.359064
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -37.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -411.970109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.970109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.970109 (E_RNA)
where:
Base-Base interactions energy: -281.340
where: short stacking energy: -125.206
Base-Backbone interact. energy: -0.085
local terms energy: -130.544556
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -369.182360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.182360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.182360 (E_RNA)
where:
Base-Base interactions energy: -243.074
where: short stacking energy: -111.478
Base-Backbone interact. energy: -1.882
local terms energy: -124.225972
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -30.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -369.094474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.094474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.094474 (E_RNA)
where:
Base-Base interactions energy: -250.972
where: short stacking energy: -112.873
Base-Backbone interact. energy: 2.324
local terms energy: -120.446491
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -27.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -295.649080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.649080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.649080 (E_RNA)
where:
Base-Base interactions energy: -191.101
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.661
local terms energy: -103.887159
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -265.633780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.633780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.633780 (E_RNA)
where:
Base-Base interactions energy: -169.618
where: short stacking energy: -91.127
Base-Backbone interact. energy: -1.025
local terms energy: -94.991310
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -19.378
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: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -238.423503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.423503 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -78.310
Base-Backbone interact. energy: -0.277
local terms energy: -104.229129
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -9.236
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -496.608211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.608211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.608211 (E_RNA)
where:
Base-Base interactions energy: -346.994
where: short stacking energy: -150.110
Base-Backbone interact. energy: -0.345
local terms energy: -149.269229
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -22.183
tors. eta vs tors. theta energy: -40.326
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: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -482.086268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.086268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.086268 (E_RNA)
where:
Base-Base interactions energy: -338.681
where: short stacking energy: -154.592
Base-Backbone interact. energy: -0.563
local terms energy: -142.842467
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -477.509898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.509898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.509898 (E_RNA)
where:
Base-Base interactions energy: -329.477
where: short stacking energy: -152.730
Base-Backbone interact. energy: -0.255
local terms energy: -147.777383
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -29.272
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -45.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -447.924364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.924364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.924364 (E_RNA)
where:
Base-Base interactions energy: -317.595
where: short stacking energy: -148.859
Base-Backbone interact. energy: -0.727
local terms energy: -129.602473
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -35.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -426.557605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.557605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.557605 (E_RNA)
where:
Base-Base interactions energy: -297.423
where: short stacking energy: -119.546
Base-Backbone interact. energy: -0.166
local terms energy: -128.968923
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -29.683
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -371.505791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.505791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.505791 (E_RNA)
where:
Base-Base interactions energy: -253.085
where: short stacking energy: -105.762
Base-Backbone interact. energy: -0.339
local terms energy: -118.082326
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -339.978883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.978883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.978883 (E_RNA)
where:
Base-Base interactions energy: -239.816
where: short stacking energy: -119.180
Base-Backbone interact. energy: -0.174
local terms energy: -99.988741
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -22.428
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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -290.961914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.961914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.961914 (E_RNA)
where:
Base-Base interactions energy: -183.775
where: short stacking energy: -94.368
Base-Backbone interact. energy: 1.314
local terms energy: -108.500993
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -21.485
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: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -264.413060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.413060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.413060 (E_RNA)
where:
Base-Base interactions energy: -158.630
where: short stacking energy: -83.662
Base-Backbone interact. energy: -1.294
local terms energy: -104.488540
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -19.381
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: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -269.725388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.725388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.725388 (E_RNA)
where:
Base-Base interactions energy: -176.461
where: short stacking energy: -77.488
Base-Backbone interact. energy: -1.305
local terms energy: -91.959660
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -14.471
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: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -488.696052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.696052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.696052 (E_RNA)
where:
Base-Base interactions energy: -337.711
where: short stacking energy: -147.873
Base-Backbone interact. energy: -0.786
local terms energy: -150.198962
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -494.698986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.698986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.698986 (E_RNA)
where:
Base-Base interactions energy: -344.719
where: short stacking energy: -164.516
Base-Backbone interact. energy: -0.746
local terms energy: -149.234044
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -464.749197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.749197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.749197 (E_RNA)
where:
Base-Base interactions energy: -316.141
where: short stacking energy: -141.900
Base-Backbone interact. energy: 0.628
local terms energy: -149.236744
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -39.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -468.971199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.971199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.971199 (E_RNA)
where:
Base-Base interactions energy: -330.338
where: short stacking energy: -141.958
Base-Backbone interact. energy: -0.065
local terms energy: -138.568313
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -39.669
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: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -384.796052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.796052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.796052 (E_RNA)
where:
Base-Base interactions energy: -259.431
where: short stacking energy: -121.379
Base-Backbone interact. energy: -1.076
local terms energy: -124.288957
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -35.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -420.261061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.261061 (E_RNA)
where:
Base-Base interactions energy: -296.925
where: short stacking energy: -121.318
Base-Backbone interact. energy: -0.246
local terms energy: -123.090366
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -32.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -359.724153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.724153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.724153 (E_RNA)
where:
Base-Base interactions energy: -239.178
where: short stacking energy: -109.223
Base-Backbone interact. energy: -1.625
local terms energy: -118.920593
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -25.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -272.337948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.337948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.337948 (E_RNA)
where:
Base-Base interactions energy: -172.083
where: short stacking energy: -92.292
Base-Backbone interact. energy: -0.554
local terms energy: -99.700502
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -302.350997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.350997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.350997 (E_RNA)
where:
Base-Base interactions energy: -196.055
where: short stacking energy: -94.509
Base-Backbone interact. energy: -0.349
local terms energy: -105.946669
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -254.109196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.109196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.109196 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -76.072
Base-Backbone interact. energy: 0.841
local terms energy: -104.657087
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -29.371
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -14.565
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: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -498.023104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.023104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.023104 (E_RNA)
where:
Base-Base interactions energy: -344.172
where: short stacking energy: -154.322
Base-Backbone interact. energy: -0.054
local terms energy: -153.797329
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -32.970
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -39.953
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -486.386132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.386132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.386132 (E_RNA)
where:
Base-Base interactions energy: -342.924
where: short stacking energy: -155.177
Base-Backbone interact. energy: -0.033
local terms energy: -143.429002
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -468.979999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.979999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.979999 (E_RNA)
where:
Base-Base interactions energy: -327.376
where: short stacking energy: -145.793
Base-Backbone interact. energy: 0.396
local terms energy: -142.000418
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -470.874973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.874973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.874973 (E_RNA)
where:
Base-Base interactions energy: -345.520
where: short stacking energy: -140.016
Base-Backbone interact. energy: -0.022
local terms energy: -125.332497
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -386.080396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.080396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.080396 (E_RNA)
where:
Base-Base interactions energy: -265.319
where: short stacking energy: -118.067
Base-Backbone interact. energy: 1.222
local terms energy: -121.983276
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -421.403229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.403229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.403229 (E_RNA)
where:
Base-Base interactions energy: -292.097
where: short stacking energy: -122.482
Base-Backbone interact. energy: -0.791
local terms energy: -128.515316
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -32.731
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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -348.327399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.327399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.327399 (E_RNA)
where:
Base-Base interactions energy: -240.399
where: short stacking energy: -115.869
Base-Backbone interact. energy: -0.410
local terms energy: -107.518112
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -25.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -299.375155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.375155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.375155 (E_RNA)
where:
Base-Base interactions energy: -206.625
where: short stacking energy: -98.001
Base-Backbone interact. energy: -0.634
local terms energy: -92.115781
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -18.444
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: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -271.485151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.485151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.485151 (E_RNA)
where:
Base-Base interactions energy: -178.616
where: short stacking energy: -109.450
Base-Backbone interact. energy: 0.561
local terms energy: -93.429292
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -279.193001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.193001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.193001 (E_RNA)
where:
Base-Base interactions energy: -176.241
where: short stacking energy: -88.856
Base-Backbone interact. energy: -0.170
local terms energy: -102.782186
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -489.192530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.192530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.192530 (E_RNA)
where:
Base-Base interactions energy: -345.162
where: short stacking energy: -162.091
Base-Backbone interact. energy: -0.963
local terms energy: -143.067720
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -28.897
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -42.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -492.690349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.690349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.690349 (E_RNA)
where:
Base-Base interactions energy: -339.641
where: short stacking energy: -147.230
Base-Backbone interact. energy: -0.501
local terms energy: -152.548558
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -42.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -475.995178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.995178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.995178 (E_RNA)
where:
Base-Base interactions energy: -331.816
where: short stacking energy: -154.721
Base-Backbone interact. energy: -0.081
local terms energy: -144.097300
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -42.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -466.991586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.991586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.991586 (E_RNA)
where:
Base-Base interactions energy: -331.462
where: short stacking energy: -149.818
Base-Backbone interact. energy: -0.028
local terms energy: -135.501600
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -40.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -416.755768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.755768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.755768 (E_RNA)
where:
Base-Base interactions energy: -297.983
where: short stacking energy: -132.467
Base-Backbone interact. energy: -0.354
local terms energy: -118.419491
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -30.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -376.800831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.800831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.800831 (E_RNA)
where:
Base-Base interactions energy: -259.140
where: short stacking energy: -104.298
Base-Backbone interact. energy: -0.521
local terms energy: -117.140123
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -29.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -294.099647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.099647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.099647 (E_RNA)
where:
Base-Base interactions energy: -202.790
where: short stacking energy: -90.812
Base-Backbone interact. energy: -0.107
local terms energy: -91.202696
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -19.365
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: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -367.075166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.075166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.075166 (E_RNA)
where:
Base-Base interactions energy: -239.759
where: short stacking energy: -106.471
Base-Backbone interact. energy: -0.792
local terms energy: -126.524907
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -29.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -273.154758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.154758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.154758 (E_RNA)
where:
Base-Base interactions energy: -165.095
where: short stacking energy: -88.738
Base-Backbone interact. energy: -0.974
local terms energy: -107.085602
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -15.849
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: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -254.826591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.826591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.826591 (E_RNA)
where:
Base-Base interactions energy: -165.196
where: short stacking energy: -93.001
Base-Backbone interact. energy: 0.940
local terms energy: -90.570380
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -490.213788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.213788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.213788 (E_RNA)
where:
Base-Base interactions energy: -342.480
where: short stacking energy: -156.463
Base-Backbone interact. energy: -0.037
local terms energy: -147.697083
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -40.682
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: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -479.175209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.175209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.175209 (E_RNA)
where:
Base-Base interactions energy: -337.701
where: short stacking energy: -161.061
Base-Backbone interact. energy: -0.767
local terms energy: -140.707336
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -479.303887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.303887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.303887 (E_RNA)
where:
Base-Base interactions energy: -335.495
where: short stacking energy: -151.583
Base-Backbone interact. energy: -0.308
local terms energy: -143.501213
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -42.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -464.428215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.428215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.428215 (E_RNA)
where:
Base-Base interactions energy: -323.784
where: short stacking energy: -132.078
Base-Backbone interact. energy: -0.100
local terms energy: -140.544569
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -39.847
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: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -433.196103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.196103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.196103 (E_RNA)
where:
Base-Base interactions energy: -296.646
where: short stacking energy: -129.240
Base-Backbone interact. energy: -0.409
local terms energy: -136.141883
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -35.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -372.704772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.704772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.704772 (E_RNA)
where:
Base-Base interactions energy: -245.637
where: short stacking energy: -114.056
Base-Backbone interact. energy: 0.617
local terms energy: -127.684962
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -30.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -272.946477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.946477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.946477 (E_RNA)
where:
Base-Base interactions energy: -175.818
where: short stacking energy: -89.383
Base-Backbone interact. energy: 0.515
local terms energy: -97.643434
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -358.113081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.113081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.113081 (E_RNA)
where:
Base-Base interactions energy: -233.530
where: short stacking energy: -104.774
Base-Backbone interact. energy: -0.537
local terms energy: -124.045730
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -26.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -260.022016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.022016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.022016 (E_RNA)
where:
Base-Base interactions energy: -164.244
where: short stacking energy: -85.660
Base-Backbone interact. energy: -0.999
local terms energy: -94.779574
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -16.924
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: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -258.212623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.212623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.212623 (E_RNA)
where:
Base-Base interactions energy: -165.368
where: short stacking energy: -83.559
Base-Backbone interact. energy: 0.151
local terms energy: -92.995627
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -9.696
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: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -486.199822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.199822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.199822 (E_RNA)
where:
Base-Base interactions energy: -337.448
where: short stacking energy: -144.876
Base-Backbone interact. energy: -0.368
local terms energy: -148.383947
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -39.098
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: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -487.841273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.841273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.841273 (E_RNA)
where:
Base-Base interactions energy: -340.070
where: short stacking energy: -159.183
Base-Backbone interact. energy: -1.201
local terms energy: -146.570509
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -44.567
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: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -477.997982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.997982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.997982 (E_RNA)
where:
Base-Base interactions energy: -327.356
where: short stacking energy: -147.313
Base-Backbone interact. energy: -0.366
local terms energy: -150.276125
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -456.815586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.815586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.815586 (E_RNA)
where:
Base-Base interactions energy: -313.750
where: short stacking energy: -147.017
Base-Backbone interact. energy: -2.269
local terms energy: -140.797162
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -43.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -447.142838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.142838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.142838 (E_RNA)
where:
Base-Base interactions energy: -314.721
where: short stacking energy: -142.518
Base-Backbone interact. energy: -0.404
local terms energy: -132.018318
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -37.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -371.367133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.367133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.367133 (E_RNA)
where:
Base-Base interactions energy: -253.744
where: short stacking energy: -114.838
Base-Backbone interact. energy: -0.176
local terms energy: -117.447428
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -355.195712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.195712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.195712 (E_RNA)
where:
Base-Base interactions energy: -247.747
where: short stacking energy: -114.443
Base-Backbone interact. energy: 0.911
local terms energy: -108.360271
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -29.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -266.448732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.448732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.448732 (E_RNA)
where:
Base-Base interactions energy: -165.630
where: short stacking energy: -89.078
Base-Backbone interact. energy: 2.408
local terms energy: -103.226464
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -29.285
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -269.586433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.586433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.586433 (E_RNA)
where:
Base-Base interactions energy: -173.047
where: short stacking energy: -88.609
Base-Backbone interact. energy: 1.241
local terms energy: -97.780414
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -28.763
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -228.844027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.844027 (E_RNA)
where:
Base-Base interactions energy: -133.978
where: short stacking energy: -69.643
Base-Backbone interact. energy: 1.450
local terms energy: -96.315608
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -485.599160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.599160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.599160 (E_RNA)
where:
Base-Base interactions energy: -337.847
where: short stacking energy: -153.202
Base-Backbone interact. energy: -0.298
local terms energy: -147.453950
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -38.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -490.818079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.818079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.818079 (E_RNA)
where:
Base-Base interactions energy: -337.544
where: short stacking energy: -153.947
Base-Backbone interact. energy: -0.442
local terms energy: -152.832135
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -41.880
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: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -474.234326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.234326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.234326 (E_RNA)
where:
Base-Base interactions energy: -325.143
where: short stacking energy: -153.374
Base-Backbone interact. energy: 0.404
local terms energy: -149.495843
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -43.069
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -472.559220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.559220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.559220 (E_RNA)
where:
Base-Base interactions energy: -324.863
where: short stacking energy: -147.934
Base-Backbone interact. energy: -1.513
local terms energy: -146.183293
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -28.209
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -43.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -433.517853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.517853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.517853 (E_RNA)
where:
Base-Base interactions energy: -306.445
where: short stacking energy: -133.425
Base-Backbone interact. energy: -0.145
local terms energy: -126.927913
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -33.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -366.653841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.653841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.653841 (E_RNA)
where:
Base-Base interactions energy: -251.478
where: short stacking energy: -108.059
Base-Backbone interact. energy: -0.092
local terms energy: -115.084276
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -25.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -367.541115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.541115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.541115 (E_RNA)
where:
Base-Base interactions energy: -261.474
where: short stacking energy: -115.046
Base-Backbone interact. energy: -0.587
local terms energy: -105.479836
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -0.216
tors. eta vs tors. theta energy: -33.553
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -318.321981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.321981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.321981 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -90.023
Base-Backbone interact. energy: -0.517
local terms energy: -118.648966
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -24.038
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -266.471288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.471288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.471288 (E_RNA)
where:
Base-Base interactions energy: -162.747
where: short stacking energy: -81.622
Base-Backbone interact. energy: -0.910
local terms energy: -102.814206
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -205.229550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.229550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229550 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -53.762
Base-Backbone interact. energy: 3.563
local terms energy: -91.706220
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -487.829115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.829115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.829115 (E_RNA)
where:
Base-Base interactions energy: -339.257
where: short stacking energy: -160.631
Base-Backbone interact. energy: -0.167
local terms energy: -148.405839
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -43.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -491.702969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.702969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.702969 (E_RNA)
where:
Base-Base interactions energy: -340.486
where: short stacking energy: -146.840
Base-Backbone interact. energy: -0.624
local terms energy: -150.592494
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -483.019292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.019292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.019292 (E_RNA)
where:
Base-Base interactions energy: -338.943
where: short stacking energy: -157.676
Base-Backbone interact. energy: -0.606
local terms energy: -143.469978
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -33.684
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -41.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -456.051988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.051988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.051988 (E_RNA)
where:
Base-Base interactions energy: -312.511
where: short stacking energy: -154.821
Base-Backbone interact. energy: -0.674
local terms energy: -142.866625
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -39.851
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: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -424.903212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.903212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.903212 (E_RNA)
where:
Base-Base interactions energy: -292.528
where: short stacking energy: -115.394
Base-Backbone interact. energy: -0.015
local terms energy: -132.359591
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -30.049
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: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -374.421563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.421563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.421563 (E_RNA)
where:
Base-Base interactions energy: -254.205
where: short stacking energy: -121.952
Base-Backbone interact. energy: -0.396
local terms energy: -119.820801
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -351.856689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.856689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.856689 (E_RNA)
where:
Base-Base interactions energy: -245.024
where: short stacking energy: -107.991
Base-Backbone interact. energy: 0.500
local terms energy: -107.332215
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -24.140
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -344.005431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.005431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.005431 (E_RNA)
where:
Base-Base interactions energy: -221.619
where: short stacking energy: -87.584
Base-Backbone interact. energy: -0.768
local terms energy: -121.618553
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -23.983
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: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -275.525249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.525249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.525249 (E_RNA)
where:
Base-Base interactions energy: -186.631
where: short stacking energy: -86.483
Base-Backbone interact. energy: 0.122
local terms energy: -89.016090
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -241.310019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.310019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.310019 (E_RNA)
where:
Base-Base interactions energy: -142.638
where: short stacking energy: -69.567
Base-Backbone interact. energy: 2.808
local terms energy: -101.479589
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -15.278
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -495.076281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.076281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.076281 (E_RNA)
where:
Base-Base interactions energy: -346.268
where: short stacking energy: -156.969
Base-Backbone interact. energy: -1.018
local terms energy: -147.789785
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -38.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -485.736205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.736205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.736205 (E_RNA)
where:
Base-Base interactions energy: -340.653
where: short stacking energy: -157.893
Base-Backbone interact. energy: -0.020
local terms energy: -145.063914
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -43.701
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: 307
Temperature: 1.000000
Total energy: -478.187583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.187583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.187583 (E_RNA)
where:
Base-Base interactions energy: -333.532
where: short stacking energy: -158.008
Base-Backbone interact. energy: -2.269
local terms energy: -142.386685
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -452.287978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.287978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.287978 (E_RNA)
where:
Base-Base interactions energy: -313.381
where: short stacking energy: -153.128
Base-Backbone interact. energy: -0.113
local terms energy: -138.794802
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -29.891
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -40.079
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: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -428.366033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.366033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.366033 (E_RNA)
where:
Base-Base interactions energy: -305.754
where: short stacking energy: -138.818
Base-Backbone interact. energy: -0.243
local terms energy: -122.368723
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -33.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -385.049872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.049872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.049872 (E_RNA)
where:
Base-Base interactions energy: -264.190
where: short stacking energy: -121.573
Base-Backbone interact. energy: -0.876
local terms energy: -119.983889
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -27.046
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -32.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -345.302704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.302704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.302704 (E_RNA)
where:
Base-Base interactions energy: -227.794
where: short stacking energy: -111.610
Base-Backbone interact. energy: -0.826
local terms energy: -116.682173
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -27.246
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: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -335.850579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.850579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.850579 (E_RNA)
where:
Base-Base interactions energy: -226.292
where: short stacking energy: -99.742
Base-Backbone interact. energy: -1.496
local terms energy: -108.062391
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -11.349
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: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -269.305760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.305760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.305760 (E_RNA)
where:
Base-Base interactions energy: -175.684
where: short stacking energy: -100.543
Base-Backbone interact. energy: -1.363
local terms energy: -92.259060
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -19.981
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: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -232.353749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.353749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.353749 (E_RNA)
where:
Base-Base interactions energy: -137.468
where: short stacking energy: -75.992
Base-Backbone interact. energy: -0.416
local terms energy: -94.469510
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -7.286
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -490.837742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.837742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.837742 (E_RNA)
where:
Base-Base interactions energy: -337.159
where: short stacking energy: -140.224
Base-Backbone interact. energy: -0.746
local terms energy: -152.932709
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -40.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -479.009476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.009476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.009476 (E_RNA)
where:
Base-Base interactions energy: -333.298
where: short stacking energy: -149.403
Base-Backbone interact. energy: -1.121
local terms energy: -144.590384
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -38.514
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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -466.083491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.083491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.083491 (E_RNA)
where:
Base-Base interactions energy: -318.590
where: short stacking energy: -147.338
Base-Backbone interact. energy: -0.286
local terms energy: -147.207839
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: -38.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -462.835095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.835095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.835095 (E_RNA)
where:
Base-Base interactions energy: -322.284
where: short stacking energy: -148.313
Base-Backbone interact. energy: -1.254
local terms energy: -139.297135
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -44.697
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: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -432.723250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.723250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.723250 (E_RNA)
where:
Base-Base interactions energy: -297.249
where: short stacking energy: -126.913
Base-Backbone interact. energy: -0.423
local terms energy: -135.050838
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -37.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -402.776193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.776193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.776193 (E_RNA)
where:
Base-Base interactions energy: -280.110
where: short stacking energy: -136.717
Base-Backbone interact. energy: -0.170
local terms energy: -122.496071
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -379.196075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.196075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.196075 (E_RNA)
where:
Base-Base interactions energy: -270.569
where: short stacking energy: -124.344
Base-Backbone interact. energy: 2.383
local terms energy: -111.010668
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -30.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -303.313113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.313113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.313113 (E_RNA)
where:
Base-Base interactions energy: -200.558
where: short stacking energy: -106.673
Base-Backbone interact. energy: -0.628
local terms energy: -102.127409
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -21.440
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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -254.997601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.997601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.997601 (E_RNA)
where:
Base-Base interactions energy: -155.762
where: short stacking energy: -86.756
Base-Backbone interact. energy: -0.041
local terms energy: -99.194335
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -15.345
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: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -270.081531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.081531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.081531 (E_RNA)
where:
Base-Base interactions energy: -165.393
where: short stacking energy: -97.543
Base-Backbone interact. energy: -0.074
local terms energy: -104.614462
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -477.523483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.523483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.523483 (E_RNA)
where:
Base-Base interactions energy: -326.091
where: short stacking energy: -148.183
Base-Backbone interact. energy: -0.622
local terms energy: -150.810535
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -38.112
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: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -483.625691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.625691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.625691 (E_RNA)
where:
Base-Base interactions energy: -345.116
where: short stacking energy: -160.633
Base-Backbone interact. energy: -0.004
local terms energy: -138.505548
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -40.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -473.450143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.450143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.450143 (E_RNA)
where:
Base-Base interactions energy: -326.302
where: short stacking energy: -149.106
Base-Backbone interact. energy: -0.569
local terms energy: -146.579840
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -39.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -457.606261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.606261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.606261 (E_RNA)
where:
Base-Base interactions energy: -315.852
where: short stacking energy: -139.725
Base-Backbone interact. energy: -0.671
local terms energy: -141.083247
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -36.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -416.667891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.667891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.667891 (E_RNA)
where:
Base-Base interactions energy: -293.362
where: short stacking energy: -125.638
Base-Backbone interact. energy: -1.122
local terms energy: -122.183370
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -31.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -380.526096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.526096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.526096 (E_RNA)
where:
Base-Base interactions energy: -260.628
where: short stacking energy: -106.703
Base-Backbone interact. energy: -0.901
local terms energy: -118.997455
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -28.107
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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -355.801114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.801114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.801114 (E_RNA)
where:
Base-Base interactions energy: -244.050
where: short stacking energy: -111.514
Base-Backbone interact. energy: -0.625
local terms energy: -111.125998
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -256.238560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.238560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.238560 (E_RNA)
where:
Base-Base interactions energy: -163.520
where: short stacking energy: -82.140
Base-Backbone interact. energy: 2.183
local terms energy: -94.901678
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -283.334478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.334478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.334478 (E_RNA)
where:
Base-Base interactions energy: -194.481
where: short stacking energy: -90.453
Base-Backbone interact. energy: -0.713
local terms energy: -88.140917
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -16.564
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: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -265.621321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.621321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.621321 (E_RNA)
where:
Base-Base interactions energy: -165.720
where: short stacking energy: -90.036
Base-Backbone interact. energy: -0.168
local terms energy: -99.733407
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -13.712
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: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -486.502818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.502818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.502818 (E_RNA)
where:
Base-Base interactions energy: -336.876
where: short stacking energy: -158.518
Base-Backbone interact. energy: -0.334
local terms energy: -149.292888
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -477.048195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.048195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.048195 (E_RNA)
where:
Base-Base interactions energy: -338.662
where: short stacking energy: -148.196
Base-Backbone interact. energy: -0.099
local terms energy: -138.287361
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -40.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -475.255219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.255219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.255219 (E_RNA)
where:
Base-Base interactions energy: -332.411
where: short stacking energy: -144.644
Base-Backbone interact. energy: -0.296
local terms energy: -142.548119
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -40.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -452.015902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.015902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.015902 (E_RNA)
where:
Base-Base interactions energy: -314.154
where: short stacking energy: -135.600
Base-Backbone interact. energy: -1.231
local terms energy: -136.631248
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -39.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -418.591666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.591666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.591666 (E_RNA)
where:
Base-Base interactions energy: -288.547
where: short stacking energy: -130.458
Base-Backbone interact. energy: 2.663
local terms energy: -132.708476
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -29.673
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -35.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -373.092682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.092682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.092682 (E_RNA)
where:
Base-Base interactions energy: -260.804
where: short stacking energy: -119.736
Base-Backbone interact. energy: 3.355
local terms energy: -115.643211
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -354.490848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.490848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.490848 (E_RNA)
where:
Base-Base interactions energy: -237.805
where: short stacking energy: -108.526
Base-Backbone interact. energy: -1.641
local terms energy: -115.044919
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -27.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -271.206171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.206171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.206171 (E_RNA)
where:
Base-Base interactions energy: -170.854
where: short stacking energy: -96.876
Base-Backbone interact. energy: 0.250
local terms energy: -100.602410
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -287.286188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.286188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.286188 (E_RNA)
where:
Base-Base interactions energy: -208.705
where: short stacking energy: -93.036
Base-Backbone interact. energy: 0.436
local terms energy: -79.016841
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -231.220754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.220754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.220754 (E_RNA)
where:
Base-Base interactions energy: -139.773
where: short stacking energy: -76.916
Base-Backbone interact. energy: 0.805
local terms energy: -92.252550
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -485.143622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.143622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.143622 (E_RNA)
where:
Base-Base interactions energy: -336.062
where: short stacking energy: -152.291
Base-Backbone interact. energy: 0.081
local terms energy: -149.162155
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -27.972
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -41.485
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: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -471.466934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.466934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.466934 (E_RNA)
where:
Base-Base interactions energy: -322.858
where: short stacking energy: -144.473
Base-Backbone interact. energy: -0.329
local terms energy: -148.279702
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -40.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -480.311308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.311308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.311308 (E_RNA)
where:
Base-Base interactions energy: -336.992
where: short stacking energy: -149.411
Base-Backbone interact. energy: -0.559
local terms energy: -142.759774
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -38.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -441.512259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.512259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.512259 (E_RNA)
where:
Base-Base interactions energy: -297.820
where: short stacking energy: -128.757
Base-Backbone interact. energy: -0.084
local terms energy: -143.608096
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -29.441
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -34.408
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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -448.746901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.746901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.746901 (E_RNA)
where:
Base-Base interactions energy: -308.018
where: short stacking energy: -151.701
Base-Backbone interact. energy: -0.018
local terms energy: -140.711613
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -43.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -361.058387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.058387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.058387 (E_RNA)
where:
Base-Base interactions energy: -242.412
where: short stacking energy: -106.746
Base-Backbone interact. energy: -0.229
local terms energy: -118.417623
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -365.192961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.192961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.192961 (E_RNA)
where:
Base-Base interactions energy: -248.446
where: short stacking energy: -106.914
Base-Backbone interact. energy: 0.337
local terms energy: -117.084442
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -28.936
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: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -259.250244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.250244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.250244 (E_RNA)
where:
Base-Base interactions energy: -175.025
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.705
local terms energy: -83.521014
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -9.121
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: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -293.417933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.417933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.417933 (E_RNA)
where:
Base-Base interactions energy: -178.045
where: short stacking energy: -103.686
Base-Backbone interact. energy: -0.673
local terms energy: -114.700029
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -23.181
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -213.270831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.270831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.270831 (E_RNA)
where:
Base-Base interactions energy: -116.841
where: short stacking energy: -55.339
Base-Backbone interact. energy: 0.112
local terms energy: -96.541237
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -488.489469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.489469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.489469 (E_RNA)
where:
Base-Base interactions energy: -334.517
where: short stacking energy: -153.150
Base-Backbone interact. energy: -0.062
local terms energy: -153.910407
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -44.778
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: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -474.939135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.939135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.939135 (E_RNA)
where:
Base-Base interactions energy: -332.727
where: short stacking energy: -153.322
Base-Backbone interact. energy: 1.553
local terms energy: -143.764578
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -39.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -465.514935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.514935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.514935 (E_RNA)
where:
Base-Base interactions energy: -327.253
where: short stacking energy: -144.011
Base-Backbone interact. energy: -0.165
local terms energy: -138.096821
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -27.995
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -37.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -452.051480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.051480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.051480 (E_RNA)
where:
Base-Base interactions energy: -316.709
where: short stacking energy: -145.310
Base-Backbone interact. energy: -0.729
local terms energy: -134.613865
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -38.091
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: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -449.253883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.253883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.253883 (E_RNA)
where:
Base-Base interactions energy: -310.542
where: short stacking energy: -147.334
Base-Backbone interact. energy: -0.782
local terms energy: -137.929909
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -45.826
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: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -357.666604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.666604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.666604 (E_RNA)
where:
Base-Base interactions energy: -239.759
where: short stacking energy: -118.021
Base-Backbone interact. energy: 0.576
local terms energy: -118.483699
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -27.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -373.240404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.240404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.240404 (E_RNA)
where:
Base-Base interactions energy: -252.134
where: short stacking energy: -118.261
Base-Backbone interact. energy: -1.796
local terms energy: -119.310302
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -257.137567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.137567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.137567 (E_RNA)
where:
Base-Base interactions energy: -159.706
where: short stacking energy: -82.476
Base-Backbone interact. energy: 1.746
local terms energy: -99.178038
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -269.114889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.114889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.114889 (E_RNA)
where:
Base-Base interactions energy: -166.866
where: short stacking energy: -85.687
Base-Backbone interact. energy: -0.515
local terms energy: -101.733460
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -212.295819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295819 (E_RNA)
where:
Base-Base interactions energy: -135.952
where: short stacking energy: -75.383
Base-Backbone interact. energy: 2.299
local terms energy: -78.643464
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -504.849842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.849842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.849842 (E_RNA)
where:
Base-Base interactions energy: -353.699
where: short stacking energy: -153.519
Base-Backbone interact. energy: -0.158
local terms energy: -150.992684
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -43.500
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -483.249846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.249846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.249846 (E_RNA)
where:
Base-Base interactions energy: -343.363
where: short stacking energy: -153.467
Base-Backbone interact. energy: -0.037
local terms energy: -139.849751
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -39.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -462.590179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.590179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.590179 (E_RNA)
where:
Base-Base interactions energy: -318.464
where: short stacking energy: -138.747
Base-Backbone interact. energy: -0.568
local terms energy: -143.558276
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -39.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -448.661136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.661136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.661136 (E_RNA)
where:
Base-Base interactions energy: -315.977
where: short stacking energy: -137.321
Base-Backbone interact. energy: -0.382
local terms energy: -132.301321
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -42.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -423.592839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.592839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.592839 (E_RNA)
where:
Base-Base interactions energy: -289.815
where: short stacking energy: -131.905
Base-Backbone interact. energy: -0.129
local terms energy: -133.649406
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -32.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -375.669580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.669580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.669580 (E_RNA)
where:
Base-Base interactions energy: -261.453
where: short stacking energy: -114.939
Base-Backbone interact. energy: -2.184
local terms energy: -112.032974
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -356.016064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.016064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.016064 (E_RNA)
where:
Base-Base interactions energy: -242.062
where: short stacking energy: -113.957
Base-Backbone interact. energy: -0.891
local terms energy: -113.062299
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -26.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -279.384679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.384679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.384679 (E_RNA)
where:
Base-Base interactions energy: -162.488
where: short stacking energy: -84.847
Base-Backbone interact. energy: 0.549
local terms energy: -117.445916
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -257.374191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.374191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.374191 (E_RNA)
where:
Base-Base interactions energy: -159.500
where: short stacking energy: -82.377
Base-Backbone interact. energy: -0.272
local terms energy: -97.602146
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -12.764
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: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -261.226853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.226853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.226853 (E_RNA)
where:
Base-Base interactions energy: -160.732
where: short stacking energy: -83.741
Base-Backbone interact. energy: -0.070
local terms energy: -100.424715
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -23.410
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -498.596674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.596674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.596674 (E_RNA)
where:
Base-Base interactions energy: -351.194
where: short stacking energy: -162.512
Base-Backbone interact. energy: 1.684
local terms energy: -149.086269
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -41.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -490.651151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.651151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.651151 (E_RNA)
where:
Base-Base interactions energy: -340.659
where: short stacking energy: -155.707
Base-Backbone interact. energy: -0.199
local terms energy: -149.793612
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -44.469
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: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -464.375816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.375816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.375816 (E_RNA)
where:
Base-Base interactions energy: -329.137
where: short stacking energy: -144.023
Base-Backbone interact. energy: -0.470
local terms energy: -134.768884
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -38.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -445.915761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.915761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.915761 (E_RNA)
where:
Base-Base interactions energy: -309.654
where: short stacking energy: -142.634
Base-Backbone interact. energy: -1.888
local terms energy: -134.374424
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -37.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -439.840648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.840648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.840648 (E_RNA)
where:
Base-Base interactions energy: -306.041
where: short stacking energy: -126.753
Base-Backbone interact. energy: 0.176
local terms energy: -133.975653
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -34.662
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: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -384.849956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.849956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.849956 (E_RNA)
where:
Base-Base interactions energy: -263.066
where: short stacking energy: -119.609
Base-Backbone interact. energy: -1.326
local terms energy: -120.458234
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -31.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -363.026816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.026816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.026816 (E_RNA)
where:
Base-Base interactions energy: -246.753
where: short stacking energy: -121.143
Base-Backbone interact. energy: -0.698
local terms energy: -115.575902
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -27.103
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: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -278.996002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.996002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.996002 (E_RNA)
where:
Base-Base interactions energy: -191.393
where: short stacking energy: -88.262
Base-Backbone interact. energy: 0.662
local terms energy: -88.264503
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -12.084
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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -277.710468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.710468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.710468 (E_RNA)
where:
Base-Base interactions energy: -181.771
where: short stacking energy: -84.454
Base-Backbone interact. energy: -0.671
local terms energy: -95.268005
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -248.222996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.222996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.222996 (E_RNA)
where:
Base-Base interactions energy: -153.860
where: short stacking energy: -71.809
Base-Backbone interact. energy: 1.734
local terms energy: -96.096970
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -11.907
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: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -498.921689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.921689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.921689 (E_RNA)
where:
Base-Base interactions energy: -356.027
where: short stacking energy: -159.334
Base-Backbone interact. energy: -0.052
local terms energy: -142.842528
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -491.192587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.192587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.192587 (E_RNA)
where:
Base-Base interactions energy: -340.395
where: short stacking energy: -160.513
Base-Backbone interact. energy: -1.000
local terms energy: -149.797689
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -41.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -454.387923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.387923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.387923 (E_RNA)
where:
Base-Base interactions energy: -319.176
where: short stacking energy: -145.454
Base-Backbone interact. energy: -1.524
local terms energy: -133.688183
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -39.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -449.605604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.605604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.605604 (E_RNA)
where:
Base-Base interactions energy: -312.770
where: short stacking energy: -155.602
Base-Backbone interact. energy: -0.011
local terms energy: -136.824764
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -39.490
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: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -416.318538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.318538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.318538 (E_RNA)
where:
Base-Base interactions energy: -285.652
where: short stacking energy: -125.233
Base-Backbone interact. energy: -0.246
local terms energy: -130.420332
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -29.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -374.852279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.852279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.852279 (E_RNA)
where:
Base-Base interactions energy: -260.777
where: short stacking energy: -125.589
Base-Backbone interact. energy: -0.722
local terms energy: -113.352614
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -31.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -354.861059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.861059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.861059 (E_RNA)
where:
Base-Base interactions energy: -246.626
where: short stacking energy: -121.800
Base-Backbone interact. energy: -0.458
local terms energy: -107.777076
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -272.509160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.509160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.509160 (E_RNA)
where:
Base-Base interactions energy: -179.188
where: short stacking energy: -78.563
Base-Backbone interact. energy: -0.061
local terms energy: -93.260213
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -12.840
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: 315
Temperature: 1.300000
Total energy: -265.203870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.203870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.203870 (E_RNA)
where:
Base-Base interactions energy: -158.212
where: short stacking energy: -84.230
Base-Backbone interact. energy: -1.054
local terms energy: -105.937640
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -20.786
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: 315
Temperature: 1.350000
Total energy: -235.125343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.125343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.125343 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -74.861
Base-Backbone interact. energy: -0.415
local terms energy: -94.238381
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -481.915378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.915378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.915378 (E_RNA)
where:
Base-Base interactions energy: -335.456
where: short stacking energy: -145.577
Base-Backbone interact. energy: -1.871
local terms energy: -144.588162
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -40.215
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -479.775529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.775529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.775529 (E_RNA)
where:
Base-Base interactions energy: -332.906
where: short stacking energy: -151.691
Base-Backbone interact. energy: -0.064
local terms energy: -146.805695
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -37.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -453.376584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.376584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.376584 (E_RNA)
where:
Base-Base interactions energy: -315.049
where: short stacking energy: -143.585
Base-Backbone interact. energy: -0.079
local terms energy: -138.248729
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -36.066
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: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -447.974821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.974821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.974821 (E_RNA)
where:
Base-Base interactions energy: -317.455
where: short stacking energy: -142.937
Base-Backbone interact. energy: -0.190
local terms energy: -130.329642
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -44.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -434.564234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.564234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.564234 (E_RNA)
where:
Base-Base interactions energy: -299.987
where: short stacking energy: -135.463
Base-Backbone interact. energy: -0.045
local terms energy: -134.532645
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -376.628139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.628139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.628139 (E_RNA)
where:
Base-Base interactions energy: -250.980
where: short stacking energy: -113.165
Base-Backbone interact. energy: 0.780
local terms energy: -126.428101
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -32.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -289.314740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.314740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.314740 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -101.956
Base-Backbone interact. energy: -2.257
local terms energy: -105.817096
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -355.191355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.191355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.191355 (E_RNA)
where:
Base-Base interactions energy: -246.530
where: short stacking energy: -109.057
Base-Backbone interact. energy: -0.432
local terms energy: -108.229738
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -24.578
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: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -261.219618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.219618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.219618 (E_RNA)
where:
Base-Base interactions energy: -174.607
where: short stacking energy: -73.227
Base-Backbone interact. energy: 0.049
local terms energy: -86.661504
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -266.253611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.253611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.253611 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -86.227
Base-Backbone interact. energy: -0.601
local terms energy: -97.060066
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -484.258740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.258740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.258740 (E_RNA)
where:
Base-Base interactions energy: -335.850
where: short stacking energy: -152.936
Base-Backbone interact. energy: -0.440
local terms energy: -147.968606
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -42.131
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: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -478.008262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.008262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.008262 (E_RNA)
where:
Base-Base interactions energy: -337.446
where: short stacking energy: -159.453
Base-Backbone interact. energy: -0.354
local terms energy: -140.208465
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -456.562885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.562885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.562885 (E_RNA)
where:
Base-Base interactions energy: -320.616
where: short stacking energy: -144.300
Base-Backbone interact. energy: -0.826
local terms energy: -135.121547
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -38.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -463.633396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.633396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.633396 (E_RNA)
where:
Base-Base interactions energy: -317.558
where: short stacking energy: -131.913
Base-Backbone interact. energy: -0.386
local terms energy: -145.688656
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -38.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -439.077709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.077709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.077709 (E_RNA)
where:
Base-Base interactions energy: -295.409
where: short stacking energy: -134.695
Base-Backbone interact. energy: -0.481
local terms energy: -143.188554
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -34.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -308.355744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.355744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.355744 (E_RNA)
where:
Base-Base interactions energy: -193.699
where: short stacking energy: -111.395
Base-Backbone interact. energy: -2.148
local terms energy: -112.509361
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -27.407
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -27.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -371.970486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.970486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.970486 (E_RNA)
where:
Base-Base interactions energy: -256.014
where: short stacking energy: -104.794
Base-Backbone interact. energy: -1.553
local terms energy: -114.403082
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -321.778005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.778005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.778005 (E_RNA)
where:
Base-Base interactions energy: -210.814
where: short stacking energy: -101.934
Base-Backbone interact. energy: -0.543
local terms energy: -110.420952
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -280.611139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.611139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.611139 (E_RNA)
where:
Base-Base interactions energy: -179.421
where: short stacking energy: -93.395
Base-Backbone interact. energy: 1.554
local terms energy: -102.744498
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -271.471647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.471647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.471647 (E_RNA)
where:
Base-Base interactions energy: -166.102
where: short stacking energy: -93.524
Base-Backbone interact. energy: -1.070
local terms energy: -104.299289
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -23.873
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: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -493.487570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.487570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.487570 (E_RNA)
where:
Base-Base interactions energy: -343.528
where: short stacking energy: -161.896
Base-Backbone interact. energy: -0.746
local terms energy: -149.213890
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -42.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -475.430730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.430730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.430730 (E_RNA)
where:
Base-Base interactions energy: -337.835
where: short stacking energy: -145.843
Base-Backbone interact. energy: -1.773
local terms energy: -135.822605
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -37.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -465.413804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.413804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.413804 (E_RNA)
where:
Base-Base interactions energy: -322.416
where: short stacking energy: -146.784
Base-Backbone interact. energy: -0.531
local terms energy: -142.466479
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -38.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -463.489056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.489056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.489056 (E_RNA)
where:
Base-Base interactions energy: -326.232
where: short stacking energy: -152.622
Base-Backbone interact. energy: -1.322
local terms energy: -135.934554
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -38.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -437.014482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.014482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.014482 (E_RNA)
where:
Base-Base interactions energy: -301.040
where: short stacking energy: -133.712
Base-Backbone interact. energy: 0.179
local terms energy: -136.153488
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -40.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -302.278893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.278893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.278893 (E_RNA)
where:
Base-Base interactions energy: -192.168
where: short stacking energy: -104.869
Base-Backbone interact. energy: -1.028
local terms energy: -109.082734
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -26.865
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -362.981575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.981575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.981575 (E_RNA)
where:
Base-Base interactions energy: -237.549
where: short stacking energy: -122.420
Base-Backbone interact. energy: -1.728
local terms energy: -123.704035
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -30.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -346.911361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.911361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.911361 (E_RNA)
where:
Base-Base interactions energy: -244.250
where: short stacking energy: -109.438
Base-Backbone interact. energy: -0.645
local terms energy: -102.015808
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -261.902269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.902269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.902269 (E_RNA)
where:
Base-Base interactions energy: -164.040
where: short stacking energy: -87.955
Base-Backbone interact. energy: -0.157
local terms energy: -97.705261
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -25.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -270.099679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.099679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.099679 (E_RNA)
where:
Base-Base interactions energy: -180.110
where: short stacking energy: -74.296
Base-Backbone interact. energy: -0.008
local terms energy: -89.981888
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -495.996449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.996449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.996449 (E_RNA)
where:
Base-Base interactions energy: -353.545
where: short stacking energy: -161.296
Base-Backbone interact. energy: -0.838
local terms energy: -141.614265
where:
bonds (distance) C4'-P energy: -29.016
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -38.952
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: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -483.213041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.213041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.213041 (E_RNA)
where:
Base-Base interactions energy: -340.504
where: short stacking energy: -164.618
Base-Backbone interact. energy: -0.818
local terms energy: -141.890438
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -39.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -448.290751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.290751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.290751 (E_RNA)
where:
Base-Base interactions energy: -304.800
where: short stacking energy: -143.088
Base-Backbone interact. energy: -0.475
local terms energy: -143.015065
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -37.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -460.882832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.882832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.882832 (E_RNA)
where:
Base-Base interactions energy: -317.508
where: short stacking energy: -138.458
Base-Backbone interact. energy: -0.307
local terms energy: -143.068369
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -39.330
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: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -445.197725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.197725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.197725 (E_RNA)
where:
Base-Base interactions energy: -314.149
where: short stacking energy: -133.136
Base-Backbone interact. energy: -0.630
local terms energy: -130.418651
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -39.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -370.879679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.879679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.879679 (E_RNA)
where:
Base-Base interactions energy: -255.064
where: short stacking energy: -122.891
Base-Backbone interact. energy: 0.335
local terms energy: -116.149708
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -30.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -306.194208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.194208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.194208 (E_RNA)
where:
Base-Base interactions energy: -195.305
where: short stacking energy: -118.485
Base-Backbone interact. energy: -0.131
local terms energy: -110.758386
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -353.055061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.055061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.055061 (E_RNA)
where:
Base-Base interactions energy: -250.187
where: short stacking energy: -105.535
Base-Backbone interact. energy: -1.833
local terms energy: -101.034575
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -260.125500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.125500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.125500 (E_RNA)
where:
Base-Base interactions energy: -160.993
where: short stacking energy: -74.036
Base-Backbone interact. energy: -1.524
local terms energy: -97.608414
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -257.676811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.676811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.676811 (E_RNA)
where:
Base-Base interactions energy: -174.102
where: short stacking energy: -84.589
Base-Backbone interact. energy: 1.765
local terms energy: -85.339427
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -9.804
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -495.057026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.057026 (E_RNA)
where:
Base-Base interactions energy: -350.608
where: short stacking energy: -156.458
Base-Backbone interact. energy: -0.018
local terms energy: -144.431253
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -40.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -477.313973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.313973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.313973 (E_RNA)
where:
Base-Base interactions energy: -330.721
where: short stacking energy: -149.679
Base-Backbone interact. energy: 0.271
local terms energy: -146.864432
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -40.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -458.376144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.376144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.376144 (E_RNA)
where:
Base-Base interactions energy: -313.864
where: short stacking energy: -144.104
Base-Backbone interact. energy: -0.432
local terms energy: -144.080035
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -41.026
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: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -467.866265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.866265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.866265 (E_RNA)
where:
Base-Base interactions energy: -322.803
where: short stacking energy: -142.173
Base-Backbone interact. energy: -1.211
local terms energy: -143.852623
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -38.072
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: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -454.652266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.652266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.652266 (E_RNA)
where:
Base-Base interactions energy: -310.732
where: short stacking energy: -146.387
Base-Backbone interact. energy: 1.478
local terms energy: -145.398054
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -44.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -364.990352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.990352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.990352 (E_RNA)
where:
Base-Base interactions energy: -250.119
where: short stacking energy: -110.700
Base-Backbone interact. energy: -0.175
local terms energy: -114.696158
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -363.245165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.245165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.245165 (E_RNA)
where:
Base-Base interactions energy: -250.686
where: short stacking energy: -113.229
Base-Backbone interact. energy: 0.016
local terms energy: -112.575139
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -31.017
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -276.707215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.707215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.707215 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -86.103
Base-Backbone interact. energy: 3.678
local terms energy: -114.122889
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -271.969032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.969032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.969032 (E_RNA)
where:
Base-Base interactions energy: -166.905
where: short stacking energy: -87.546
Base-Backbone interact. energy: -0.840
local terms energy: -104.224337
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -257.000403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.000403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.000403 (E_RNA)
where:
Base-Base interactions energy: -161.626
where: short stacking energy: -88.519
Base-Backbone interact. energy: -1.271
local terms energy: -94.102752
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -12.191
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -493.325824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.325824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.325824 (E_RNA)
where:
Base-Base interactions energy: -348.458
where: short stacking energy: -166.507
Base-Backbone interact. energy: -0.136
local terms energy: -144.731543
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -45.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -469.138717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.138717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.138717 (E_RNA)
where:
Base-Base interactions energy: -330.494
where: short stacking energy: -156.236
Base-Backbone interact. energy: -0.004
local terms energy: -138.640515
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -41.116
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: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -464.316062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.316062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.316062 (E_RNA)
where:
Base-Base interactions energy: -324.038
where: short stacking energy: -141.475
Base-Backbone interact. energy: 0.016
local terms energy: -140.294327
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -38.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -467.380670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.380670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.380670 (E_RNA)
where:
Base-Base interactions energy: -335.014
where: short stacking energy: -149.763
Base-Backbone interact. energy: -0.109
local terms energy: -132.256897
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -36.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -456.742763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.742763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.742763 (E_RNA)
where:
Base-Base interactions energy: -320.742
where: short stacking energy: -146.747
Base-Backbone interact. energy: -2.008
local terms energy: -133.992610
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -28.992
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -40.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -346.605545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.605545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.605545 (E_RNA)
where:
Base-Base interactions energy: -233.505
where: short stacking energy: -108.426
Base-Backbone interact. energy: -0.081
local terms energy: -113.019571
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -26.744
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: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -363.796905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.796905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.796905 (E_RNA)
where:
Base-Base interactions energy: -241.176
where: short stacking energy: -114.364
Base-Backbone interact. energy: -1.409
local terms energy: -121.211223
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -26.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -308.929425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.929425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.929425 (E_RNA)
where:
Base-Base interactions energy: -198.472
where: short stacking energy: -88.757
Base-Backbone interact. energy: -0.520
local terms energy: -109.937036
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -254.677681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.677681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.677681 (E_RNA)
where:
Base-Base interactions energy: -169.329
where: short stacking energy: -79.189
Base-Backbone interact. energy: 0.525
local terms energy: -85.874249
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -4.401
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: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -277.720138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.720138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.720138 (E_RNA)
where:
Base-Base interactions energy: -179.737
where: short stacking energy: -91.202
Base-Backbone interact. energy: -0.931
local terms energy: -97.052038
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -494.265105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.265105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.265105 (E_RNA)
where:
Base-Base interactions energy: -342.412
where: short stacking energy: -158.431
Base-Backbone interact. energy: -0.543
local terms energy: -151.309859
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -39.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -473.711304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.711304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.711304 (E_RNA)
where:
Base-Base interactions energy: -336.237
where: short stacking energy: -143.777
Base-Backbone interact. energy: -1.092
local terms energy: -136.382086
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -40.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -465.954173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.954173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.954173 (E_RNA)
where:
Base-Base interactions energy: -325.782
where: short stacking energy: -148.985
Base-Backbone interact. energy: -0.148
local terms energy: -140.023934
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -41.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -458.120959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.120959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.120959 (E_RNA)
where:
Base-Base interactions energy: -322.681
where: short stacking energy: -135.953
Base-Backbone interact. energy: 0.024
local terms energy: -135.463675
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -30.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -453.940206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.940206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.940206 (E_RNA)
where:
Base-Base interactions energy: -312.114
where: short stacking energy: -153.791
Base-Backbone interact. energy: -0.331
local terms energy: -141.495130
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -30.773
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -42.341
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: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -341.548095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.548095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.548095 (E_RNA)
where:
Base-Base interactions energy: -218.195
where: short stacking energy: -100.734
Base-Backbone interact. energy: -0.100
local terms energy: -123.253461
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -27.622
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: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -389.667080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.667080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.667080 (E_RNA)
where:
Base-Base interactions energy: -273.219
where: short stacking energy: -127.061
Base-Backbone interact. energy: -0.309
local terms energy: -116.139404
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -305.870860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.870860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.870860 (E_RNA)
where:
Base-Base interactions energy: -196.566
where: short stacking energy: -102.264
Base-Backbone interact. energy: -1.016
local terms energy: -108.288455
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -325.635756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.635756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.635756 (E_RNA)
where:
Base-Base interactions energy: -227.640
where: short stacking energy: -100.864
Base-Backbone interact. energy: -0.096
local terms energy: -97.899774
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -24.635
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: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -266.281803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.281803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.281803 (E_RNA)
where:
Base-Base interactions energy: -158.731
where: short stacking energy: -79.438
Base-Backbone interact. energy: -0.123
local terms energy: -107.427821
where:
bonds (distance) C4'-P energy: -27.559
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -492.560281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.560281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.560281 (E_RNA)
where:
Base-Base interactions energy: -347.003
where: short stacking energy: -160.268
Base-Backbone interact. energy: -0.006
local terms energy: -145.551273
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -39.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -479.776496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.776496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.776496 (E_RNA)
where:
Base-Base interactions energy: -338.872
where: short stacking energy: -154.159
Base-Backbone interact. energy: -0.025
local terms energy: -140.879349
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -38.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -469.633600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.633600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.633600 (E_RNA)
where:
Base-Base interactions energy: -333.411
where: short stacking energy: -156.515
Base-Backbone interact. energy: -0.495
local terms energy: -135.727334
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -40.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -469.845153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.845153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.845153 (E_RNA)
where:
Base-Base interactions energy: -315.618
where: short stacking energy: -143.662
Base-Backbone interact. energy: -1.288
local terms energy: -152.939111
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -44.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -445.360224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.360224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.360224 (E_RNA)
where:
Base-Base interactions energy: -312.415
where: short stacking energy: -139.349
Base-Backbone interact. energy: -0.482
local terms energy: -132.463157
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -39.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -383.888855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.888855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.888855 (E_RNA)
where:
Base-Base interactions energy: -269.889
where: short stacking energy: -119.590
Base-Backbone interact. energy: -0.282
local terms energy: -113.717141
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -28.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -327.111534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.111534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.111534 (E_RNA)
where:
Base-Base interactions energy: -211.148
where: short stacking energy: -101.254
Base-Backbone interact. energy: -0.445
local terms energy: -115.518509
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -327.861718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.861718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.861718 (E_RNA)
where:
Base-Base interactions energy: -214.114
where: short stacking energy: -109.144
Base-Backbone interact. energy: -0.055
local terms energy: -113.692863
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -305.935607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.935607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.935607 (E_RNA)
where:
Base-Base interactions energy: -203.880
where: short stacking energy: -104.749
Base-Backbone interact. energy: -0.924
local terms energy: -101.131170
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -254.624329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.624329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.624329 (E_RNA)
where:
Base-Base interactions energy: -158.501
where: short stacking energy: -77.934
Base-Backbone interact. energy: -0.354
local terms energy: -95.769136
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -492.955909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.955909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.955909 (E_RNA)
where:
Base-Base interactions energy: -346.025
where: short stacking energy: -159.299
Base-Backbone interact. energy: -0.091
local terms energy: -146.839361
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -42.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -480.406050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.406050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.406050 (E_RNA)
where:
Base-Base interactions energy: -336.332
where: short stacking energy: -160.162
Base-Backbone interact. energy: -0.297
local terms energy: -143.776704
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -42.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -467.512199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.512199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.512199 (E_RNA)
where:
Base-Base interactions energy: -326.050
where: short stacking energy: -150.989
Base-Backbone interact. energy: -0.754
local terms energy: -140.707504
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -41.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -468.515312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.515312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.515312 (E_RNA)
where:
Base-Base interactions energy: -331.979
where: short stacking energy: -148.009
Base-Backbone interact. energy: -0.106
local terms energy: -136.430283
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -38.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -444.711182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.711182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.711182 (E_RNA)
where:
Base-Base interactions energy: -308.030
where: short stacking energy: -138.881
Base-Backbone interact. energy: -0.402
local terms energy: -136.279161
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -41.299
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: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -379.800034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.800034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.800034 (E_RNA)
where:
Base-Base interactions energy: -258.869
where: short stacking energy: -108.026
Base-Backbone interact. energy: -0.906
local terms energy: -120.025040
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -22.926
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: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -342.745057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.745057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.745057 (E_RNA)
where:
Base-Base interactions energy: -221.624
where: short stacking energy: -110.372
Base-Backbone interact. energy: -1.603
local terms energy: -119.518719
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -320.236261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.236261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.236261 (E_RNA)
where:
Base-Base interactions energy: -211.306
where: short stacking energy: -103.440
Base-Backbone interact. energy: -0.506
local terms energy: -108.424362
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -24.827
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: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -298.326088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.326088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.326088 (E_RNA)
where:
Base-Base interactions energy: -186.686
where: short stacking energy: -95.489
Base-Backbone interact. energy: -0.629
local terms energy: -111.011854
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -18.476
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: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -236.008401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.008401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.008401 (E_RNA)
where:
Base-Base interactions energy: -152.510
where: short stacking energy: -75.527
Base-Backbone interact. energy: 2.386
local terms energy: -85.884497
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -498.688330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.688330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.688330 (E_RNA)
where:
Base-Base interactions energy: -360.680
where: short stacking energy: -161.516
Base-Backbone interact. energy: -0.883
local terms energy: -137.125279
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -40.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -474.175864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.175864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.175864 (E_RNA)
where:
Base-Base interactions energy: -340.610
where: short stacking energy: -161.273
Base-Backbone interact. energy: 0.464
local terms energy: -134.029181
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -40.304
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: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -478.188654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.188654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.188654 (E_RNA)
where:
Base-Base interactions energy: -331.829
where: short stacking energy: -155.318
Base-Backbone interact. energy: -1.576
local terms energy: -144.783466
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -42.118
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: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -467.858682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.858682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.858682 (E_RNA)
where:
Base-Base interactions energy: -329.654
where: short stacking energy: -153.308
Base-Backbone interact. energy: -0.094
local terms energy: -138.110851
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -40.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -432.483173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.483173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.483173 (E_RNA)
where:
Base-Base interactions energy: -298.745
where: short stacking energy: -128.673
Base-Backbone interact. energy: 0.589
local terms energy: -134.326514
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -32.156
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: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -373.274850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.274850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.274850 (E_RNA)
where:
Base-Base interactions energy: -244.503
where: short stacking energy: -104.117
Base-Backbone interact. energy: 0.799
local terms energy: -129.570913
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -351.367105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.367105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.367105 (E_RNA)
where:
Base-Base interactions energy: -242.525
where: short stacking energy: -116.281
Base-Backbone interact. energy: -0.133
local terms energy: -108.708262
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -25.671
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: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -330.216397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.216397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.216397 (E_RNA)
where:
Base-Base interactions energy: -219.299
where: short stacking energy: -93.688
Base-Backbone interact. energy: -0.119
local terms energy: -110.798849
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -289.826023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.826023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.826023 (E_RNA)
where:
Base-Base interactions energy: -201.388
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.350
local terms energy: -88.087753
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -2.565
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -244.238890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.238890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.238890 (E_RNA)
where:
Base-Base interactions energy: -156.159
where: short stacking energy: -84.476
Base-Backbone interact. energy: -0.481
local terms energy: -87.598890
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -18.457
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: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -480.478252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.478252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.478252 (E_RNA)
where:
Base-Base interactions energy: -338.722
where: short stacking energy: -155.317
Base-Backbone interact. energy: -0.091
local terms energy: -141.665189
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -27.684
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -40.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -480.167883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.167883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.167883 (E_RNA)
where:
Base-Base interactions energy: -333.720
where: short stacking energy: -161.500
Base-Backbone interact. energy: -0.030
local terms energy: -146.417820
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -45.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -470.687939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.687939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.687939 (E_RNA)
where:
Base-Base interactions energy: -333.810
where: short stacking energy: -145.450
Base-Backbone interact. energy: -1.008
local terms energy: -135.869857
where:
bonds (distance) C4'-P energy: -24.603
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -43.289
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: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -465.170236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.170236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.170236 (E_RNA)
where:
Base-Base interactions energy: -329.940
where: short stacking energy: -148.204
Base-Backbone interact. energy: -0.049
local terms energy: -135.181157
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -42.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -439.980524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.980524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.980524 (E_RNA)
where:
Base-Base interactions energy: -303.857
where: short stacking energy: -137.950
Base-Backbone interact. energy: -0.767
local terms energy: -135.356799
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -31.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -379.347547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.347547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.347547 (E_RNA)
where:
Base-Base interactions energy: -271.768
where: short stacking energy: -116.899
Base-Backbone interact. energy: 1.125
local terms energy: -108.704256
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -353.907192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.907192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.907192 (E_RNA)
where:
Base-Base interactions energy: -232.362
where: short stacking energy: -106.770
Base-Backbone interact. energy: -0.398
local terms energy: -121.146987
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -22.488
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: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -330.904656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.904656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.904656 (E_RNA)
where:
Base-Base interactions energy: -220.135
where: short stacking energy: -95.006
Base-Backbone interact. energy: -0.667
local terms energy: -110.103104
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -282.958603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.958603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.958603 (E_RNA)
where:
Base-Base interactions energy: -173.107
where: short stacking energy: -71.438
Base-Backbone interact. energy: -0.696
local terms energy: -109.155703
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -12.435
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: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -273.647127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.647127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.647127 (E_RNA)
where:
Base-Base interactions energy: -170.289
where: short stacking energy: -78.208
Base-Backbone interact. energy: 1.602
local terms energy: -104.959881
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -20.189
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: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -499.550308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.550308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.550308 (E_RNA)
where:
Base-Base interactions energy: -351.341
where: short stacking energy: -157.120
Base-Backbone interact. energy: -0.010
local terms energy: -148.199699
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -479.953044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.953044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.953044 (E_RNA)
where:
Base-Base interactions energy: -333.144
where: short stacking energy: -151.731
Base-Backbone interact. energy: -0.033
local terms energy: -146.775656
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -40.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -470.502272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.502272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.502272 (E_RNA)
where:
Base-Base interactions energy: -324.076
where: short stacking energy: -146.701
Base-Backbone interact. energy: -0.465
local terms energy: -145.961931
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -43.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -434.273910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.273910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.273910 (E_RNA)
where:
Base-Base interactions energy: -304.700
where: short stacking energy: -131.117
Base-Backbone interact. energy: -0.156
local terms energy: -129.417483
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -30.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -452.851171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.851171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.851171 (E_RNA)
where:
Base-Base interactions energy: -311.516
where: short stacking energy: -138.917
Base-Backbone interact. energy: -0.304
local terms energy: -141.030522
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -30.637
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -42.350
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: 327
Temperature: 1.150000
Total energy: -361.740717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.740717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.740717 (E_RNA)
where:
Base-Base interactions energy: -245.046
where: short stacking energy: -102.701
Base-Backbone interact. energy: -0.780
local terms energy: -115.914413
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -381.635405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.635405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.635405 (E_RNA)
where:
Base-Base interactions energy: -256.992
where: short stacking energy: -96.938
Base-Backbone interact. energy: -0.783
local terms energy: -123.859965
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -323.073616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.073616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.073616 (E_RNA)
where:
Base-Base interactions energy: -204.184
where: short stacking energy: -105.761
Base-Backbone interact. energy: 0.250
local terms energy: -119.140247
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -294.872876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.872876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.872876 (E_RNA)
where:
Base-Base interactions energy: -216.969
where: short stacking energy: -89.869
Base-Backbone interact. energy: 0.257
local terms energy: -78.161139
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -10.683
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: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -265.240182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.240182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.240182 (E_RNA)
where:
Base-Base interactions energy: -164.280
where: short stacking energy: -87.745
Base-Backbone interact. energy: -1.235
local terms energy: -99.725016
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -492.752253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.752253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.752253 (E_RNA)
where:
Base-Base interactions energy: -348.424
where: short stacking energy: -152.285
Base-Backbone interact. energy: -0.508
local terms energy: -143.820374
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -43.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -477.381117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.381117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.381117 (E_RNA)
where:
Base-Base interactions energy: -330.637
where: short stacking energy: -151.447
Base-Backbone interact. energy: -0.244
local terms energy: -146.499847
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -40.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -459.575799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.575799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.575799 (E_RNA)
where:
Base-Base interactions energy: -322.350
where: short stacking energy: -142.245
Base-Backbone interact. energy: -0.127
local terms energy: -137.099409
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -40.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -424.193437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.193437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.193437 (E_RNA)
where:
Base-Base interactions energy: -301.466
where: short stacking energy: -133.745
Base-Backbone interact. energy: 1.755
local terms energy: -124.482634
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -32.719
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: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -458.111202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.111202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.111202 (E_RNA)
where:
Base-Base interactions energy: -327.612
where: short stacking energy: -146.719
Base-Backbone interact. energy: -0.052
local terms energy: -130.447575
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -40.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -377.202102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.202102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.202102 (E_RNA)
where:
Base-Base interactions energy: -250.588
where: short stacking energy: -117.234
Base-Backbone interact. energy: -1.233
local terms energy: -125.380794
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -30.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -384.510924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.510924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.510924 (E_RNA)
where:
Base-Base interactions energy: -281.188
where: short stacking energy: -118.401
Base-Backbone interact. energy: -1.023
local terms energy: -102.299548
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -314.044436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.044436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.044436 (E_RNA)
where:
Base-Base interactions energy: -209.569
where: short stacking energy: -97.247
Base-Backbone interact. energy: -0.042
local terms energy: -104.433755
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -20.453
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -300.245341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.245341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.245341 (E_RNA)
where:
Base-Base interactions energy: -186.301
where: short stacking energy: -103.456
Base-Backbone interact. energy: -1.311
local terms energy: -112.633465
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -20.651
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: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -300.827923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.827923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.827923 (E_RNA)
where:
Base-Base interactions energy: -204.306
where: short stacking energy: -88.472
Base-Backbone interact. energy: -0.128
local terms energy: -96.394367
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -484.340842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.340842 (E_RNA)
where:
Base-Base interactions energy: -338.153
where: short stacking energy: -153.089
Base-Backbone interact. energy: -0.788
local terms energy: -145.399825
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -41.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -488.246857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.246857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.246857 (E_RNA)
where:
Base-Base interactions energy: -337.386
where: short stacking energy: -148.015
Base-Backbone interact. energy: -1.483
local terms energy: -149.378424
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -41.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -461.921693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.921693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.921693 (E_RNA)
where:
Base-Base interactions energy: -321.936
where: short stacking energy: -152.797
Base-Backbone interact. energy: 0.546
local terms energy: -140.531775
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -472.322812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.322812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.322812 (E_RNA)
where:
Base-Base interactions energy: -335.071
where: short stacking energy: -157.654
Base-Backbone interact. energy: 0.010
local terms energy: -137.261732
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -38.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -434.605452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.605452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.605452 (E_RNA)
where:
Base-Base interactions energy: -303.510
where: short stacking energy: -127.951
Base-Backbone interact. energy: -0.054
local terms energy: -131.040817
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -30.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -364.779453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.779453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.779453 (E_RNA)
where:
Base-Base interactions energy: -249.180
where: short stacking energy: -107.396
Base-Backbone interact. energy: -0.520
local terms energy: -115.080173
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -343.228737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.228737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.228737 (E_RNA)
where:
Base-Base interactions energy: -228.702
where: short stacking energy: -108.556
Base-Backbone interact. energy: -1.273
local terms energy: -113.253665
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -302.598964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.598964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.598964 (E_RNA)
where:
Base-Base interactions energy: -185.165
where: short stacking energy: -104.004
Base-Backbone interact. energy: -0.231
local terms energy: -117.202586
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -314.647115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.647115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.647115 (E_RNA)
where:
Base-Base interactions energy: -209.208
where: short stacking energy: -97.793
Base-Backbone interact. energy: 0.412
local terms energy: -105.850724
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -231.158014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.158014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.158014 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -61.478
Base-Backbone interact. energy: 0.277
local terms energy: -82.167343
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -493.784102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.784102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.784102 (E_RNA)
where:
Base-Base interactions energy: -348.625
where: short stacking energy: -147.582
Base-Backbone interact. energy: -0.593
local terms energy: -144.565788
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -29.143
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -37.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -491.633796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.633796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.633796 (E_RNA)
where:
Base-Base interactions energy: -347.297
where: short stacking energy: -162.275
Base-Backbone interact. energy: -0.082
local terms energy: -144.254051
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -40.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -452.979896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.979896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.979896 (E_RNA)
where:
Base-Base interactions energy: -314.615
where: short stacking energy: -146.667
Base-Backbone interact. energy: -0.021
local terms energy: -138.343793
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -43.239
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: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -477.343501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.343501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.343501 (E_RNA)
where:
Base-Base interactions energy: -330.344
where: short stacking energy: -149.303
Base-Backbone interact. energy: -0.008
local terms energy: -146.992344
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -38.216
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: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -438.379547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.379547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.379547 (E_RNA)
where:
Base-Base interactions energy: -307.459
where: short stacking energy: -137.049
Base-Backbone interact. energy: -1.309
local terms energy: -129.611348
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -33.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -370.712701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.712701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.712701 (E_RNA)
where:
Base-Base interactions energy: -252.426
where: short stacking energy: -110.595
Base-Backbone interact. energy: 1.159
local terms energy: -119.445604
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -314.578536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.578536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.578536 (E_RNA)
where:
Base-Base interactions energy: -207.024
where: short stacking energy: -91.795
Base-Backbone interact. energy: -0.573
local terms energy: -106.981069
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -12.807
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -297.154771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.154771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.154771 (E_RNA)
where:
Base-Base interactions energy: -195.403
where: short stacking energy: -115.879
Base-Backbone interact. energy: -0.548
local terms energy: -101.203271
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -28.435
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: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -239.844110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.844110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.844110 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -75.138
Base-Backbone interact. energy: -0.641
local terms energy: -93.352606
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -289.498375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.498375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.498375 (E_RNA)
where:
Base-Base interactions energy: -188.059
where: short stacking energy: -93.073
Base-Backbone interact. energy: -0.141
local terms energy: -101.298446
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -486.503986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.503986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.503986 (E_RNA)
where:
Base-Base interactions energy: -334.943
where: short stacking energy: -159.475
Base-Backbone interact. energy: -1.277
local terms energy: -150.284109
where:
bonds (distance) C4'-P energy: -28.979
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -489.110037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.110037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.110037 (E_RNA)
where:
Base-Base interactions energy: -335.195
where: short stacking energy: -149.333
Base-Backbone interact. energy: -0.141
local terms energy: -153.773730
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -43.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -463.415465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.415465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.415465 (E_RNA)
where:
Base-Base interactions energy: -324.148
where: short stacking energy: -143.858
Base-Backbone interact. energy: -1.167
local terms energy: -138.099800
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -38.944
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: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -469.341427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.341427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.341427 (E_RNA)
where:
Base-Base interactions energy: -332.083
where: short stacking energy: -140.530
Base-Backbone interact. energy: -1.368
local terms energy: -135.890385
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -39.695
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -421.341805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.341805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.341805 (E_RNA)
where:
Base-Base interactions energy: -293.215
where: short stacking energy: -119.553
Base-Backbone interact. energy: -0.167
local terms energy: -127.960454
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -370.413133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.413133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.413133 (E_RNA)
where:
Base-Base interactions energy: -256.220
where: short stacking energy: -107.355
Base-Backbone interact. energy: -1.067
local terms energy: -113.126416
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -17.483
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: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -307.264482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.264482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.264482 (E_RNA)
where:
Base-Base interactions energy: -197.121
where: short stacking energy: -114.710
Base-Backbone interact. energy: 1.108
local terms energy: -111.251614
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -302.499224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.499224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.499224 (E_RNA)
where:
Base-Base interactions energy: -185.373
where: short stacking energy: -89.595
Base-Backbone interact. energy: -0.862
local terms energy: -116.264235
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -23.146
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: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -240.985687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.985687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.985687 (E_RNA)
where:
Base-Base interactions energy: -148.600
where: short stacking energy: -72.348
Base-Backbone interact. energy: -1.194
local terms energy: -91.192103
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -284.448193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.448193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.448193 (E_RNA)
where:
Base-Base interactions energy: -186.267
where: short stacking energy: -80.719
Base-Backbone interact. energy: -0.889
local terms energy: -97.291924
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -22.259
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: 332
Temperature: 0.900000
Total energy: -484.280356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.280356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.280356 (E_RNA)
where:
Base-Base interactions energy: -348.261
where: short stacking energy: -158.193
Base-Backbone interact. energy: -0.228
local terms energy: -135.791257
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -39.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -487.887600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.887600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.887600 (E_RNA)
where:
Base-Base interactions energy: -343.059
where: short stacking energy: -153.255
Base-Backbone interact. energy: -0.620
local terms energy: -144.209036
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -479.440114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.440114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.440114 (E_RNA)
where:
Base-Base interactions energy: -339.338
where: short stacking energy: -137.626
Base-Backbone interact. energy: -0.434
local terms energy: -139.667567
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -27.361
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -39.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -449.654825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.654825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.654825 (E_RNA)
where:
Base-Base interactions energy: -311.498
where: short stacking energy: -128.131
Base-Backbone interact. energy: -0.744
local terms energy: -137.412857
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -34.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -412.753146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.753146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.753146 (E_RNA)
where:
Base-Base interactions energy: -292.304
where: short stacking energy: -138.097
Base-Backbone interact. energy: -0.251
local terms energy: -120.198661
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -28.652
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -29.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -383.660917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.660917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.660917 (E_RNA)
where:
Base-Base interactions energy: -260.824
where: short stacking energy: -114.863
Base-Backbone interact. energy: -1.753
local terms energy: -121.084037
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -31.786
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: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -305.114137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.114137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.114137 (E_RNA)
where:
Base-Base interactions energy: -181.975
where: short stacking energy: -101.944
Base-Backbone interact. energy: -0.813
local terms energy: -122.326353
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -23.423
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: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -289.804672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.804672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.804672 (E_RNA)
where:
Base-Base interactions energy: -182.592
where: short stacking energy: -100.567
Base-Backbone interact. energy: -0.098
local terms energy: -107.114819
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -12.245
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -325.582037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.582037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.582037 (E_RNA)
where:
Base-Base interactions energy: -214.820
where: short stacking energy: -111.032
Base-Backbone interact. energy: -0.287
local terms energy: -110.475019
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -26.789
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: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -237.242950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.242950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.242950 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -72.079
Base-Backbone interact. energy: 1.470
local terms energy: -101.554718
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -12.292
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: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -491.039637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.039637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.039637 (E_RNA)
where:
Base-Base interactions energy: -337.638
where: short stacking energy: -151.903
Base-Backbone interact. energy: -0.021
local terms energy: -153.380486
where:
bonds (distance) C4'-P energy: -26.654
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -42.102
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: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -494.119945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.119945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.119945 (E_RNA)
where:
Base-Base interactions energy: -343.520
where: short stacking energy: -150.838
Base-Backbone interact. energy: -1.298
local terms energy: -149.302063
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -43.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -472.351310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.351310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.351310 (E_RNA)
where:
Base-Base interactions energy: -331.758
where: short stacking energy: -152.326
Base-Backbone interact. energy: -0.205
local terms energy: -140.388894
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -45.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -455.686171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.686171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.686171 (E_RNA)
where:
Base-Base interactions energy: -313.489
where: short stacking energy: -148.121
Base-Backbone interact. energy: -0.969
local terms energy: -141.228432
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -41.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -400.941393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.941393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.941393 (E_RNA)
where:
Base-Base interactions energy: -287.537
where: short stacking energy: -133.422
Base-Backbone interact. energy: -0.758
local terms energy: -112.646619
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -32.664
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: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -379.995020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.995020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.995020 (E_RNA)
where:
Base-Base interactions energy: -268.903
where: short stacking energy: -119.927
Base-Backbone interact. energy: -0.280
local terms energy: -110.811847
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -300.132234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.132234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.132234 (E_RNA)
where:
Base-Base interactions energy: -188.414
where: short stacking energy: -109.972
Base-Backbone interact. energy: -0.254
local terms energy: -111.464054
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -337.264952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.264952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.264952 (E_RNA)
where:
Base-Base interactions energy: -220.449
where: short stacking energy: -104.716
Base-Backbone interact. energy: -0.993
local terms energy: -115.823538
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -24.928
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -267.506399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.506399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.506399 (E_RNA)
where:
Base-Base interactions energy: -165.114
where: short stacking energy: -85.970
Base-Backbone interact. energy: -0.248
local terms energy: -102.144522
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -248.903809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.903809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.903809 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -78.755
Base-Backbone interact. energy: -0.224
local terms energy: -98.291486
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -501.857208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.857208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.857208 (E_RNA)
where:
Base-Base interactions energy: -348.098
where: short stacking energy: -151.684
Base-Backbone interact. energy: -0.370
local terms energy: -153.389829
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -42.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -488.518115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.518115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.518115 (E_RNA)
where:
Base-Base interactions energy: -336.448
where: short stacking energy: -154.986
Base-Backbone interact. energy: -0.481
local terms energy: -151.588744
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -465.825852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.825852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.825852 (E_RNA)
where:
Base-Base interactions energy: -323.987
where: short stacking energy: -156.144
Base-Backbone interact. energy: -0.123
local terms energy: -141.715002
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -44.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -472.352686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.352686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.352686 (E_RNA)
where:
Base-Base interactions energy: -323.652
where: short stacking energy: -143.599
Base-Backbone interact. energy: -0.075
local terms energy: -148.625525
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -31.114
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -38.174
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: 334
Temperature: 1.100000
Total energy: -428.872910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.872910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.872910 (E_RNA)
where:
Base-Base interactions energy: -299.023
where: short stacking energy: -130.747
Base-Backbone interact. energy: -0.317
local terms energy: -129.532656
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -29.050
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: 334
Temperature: 1.150000
Total energy: -362.755488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.755488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.755488 (E_RNA)
where:
Base-Base interactions energy: -254.177
where: short stacking energy: -105.780
Base-Backbone interact. energy: 0.147
local terms energy: -108.725268
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -22.510
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: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -339.594145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.594145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.594145 (E_RNA)
where:
Base-Base interactions energy: -219.634
where: short stacking energy: -108.354
Base-Backbone interact. energy: -0.290
local terms energy: -119.669843
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -281.662974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.662974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.662974 (E_RNA)
where:
Base-Base interactions energy: -197.789
where: short stacking energy: -106.281
Base-Backbone interact. energy: -0.256
local terms energy: -83.618434
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -311.569382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.569382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.569382 (E_RNA)
where:
Base-Base interactions energy: -196.112
where: short stacking energy: -91.335
Base-Backbone interact. energy: -1.668
local terms energy: -113.789640
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -18.333
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: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -218.920541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.920541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.920541 (E_RNA)
where:
Base-Base interactions energy: -141.223
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.535
local terms energy: -77.162337
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.958
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: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -495.302974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.302974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.302974 (E_RNA)
where:
Base-Base interactions energy: -355.204
where: short stacking energy: -156.141
Base-Backbone interact. energy: -0.356
local terms energy: -139.742964
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -39.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -483.132811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.132811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.132811 (E_RNA)
where:
Base-Base interactions energy: -337.918
where: short stacking energy: -161.975
Base-Backbone interact. energy: -0.600
local terms energy: -144.615444
where:
bonds (distance) C4'-P energy: -25.412
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -41.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -466.869093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.869093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.869093 (E_RNA)
where:
Base-Base interactions energy: -323.237
where: short stacking energy: -140.249
Base-Backbone interact. energy: -0.281
local terms energy: -143.350989
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -43.169
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -459.466236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.466236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.466236 (E_RNA)
where:
Base-Base interactions energy: -318.935
where: short stacking energy: -137.541
Base-Backbone interact. energy: 0.454
local terms energy: -140.985294
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -37.504
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: 335
Temperature: 1.100000
Total energy: -445.089248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.089248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.089248 (E_RNA)
where:
Base-Base interactions energy: -303.270
where: short stacking energy: -136.226
Base-Backbone interact. energy: -0.660
local terms energy: -141.159780
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -39.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -391.999761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.999761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.999761 (E_RNA)
where:
Base-Base interactions energy: -269.963
where: short stacking energy: -115.137
Base-Backbone interact. energy: -1.002
local terms energy: -121.034530
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -335.872550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.872550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.872550 (E_RNA)
where:
Base-Base interactions energy: -214.437
where: short stacking energy: -106.820
Base-Backbone interact. energy: -0.062
local terms energy: -121.374357
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -284.514209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.514209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.514209 (E_RNA)
where:
Base-Base interactions energy: -181.258
where: short stacking energy: -102.954
Base-Backbone interact. energy: -0.242
local terms energy: -103.013913
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -18.390
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -272.259851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.259851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.259851 (E_RNA)
where:
Base-Base interactions energy: -167.450
where: short stacking energy: -81.189
Base-Backbone interact. energy: -0.681
local terms energy: -104.128589
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -250.929281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.929281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.929281 (E_RNA)
where:
Base-Base interactions energy: -151.092
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.291
local terms energy: -99.546325
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -498.785325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.785325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.785325 (E_RNA)
where:
Base-Base interactions energy: -352.175
where: short stacking energy: -156.555
Base-Backbone interact. energy: -0.204
local terms energy: -146.406321
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -44.344
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -492.760541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.760541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.760541 (E_RNA)
where:
Base-Base interactions energy: -345.545
where: short stacking energy: -153.716
Base-Backbone interact. energy: -0.057
local terms energy: -147.158899
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -43.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -473.263846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.263846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.263846 (E_RNA)
where:
Base-Base interactions energy: -337.265
where: short stacking energy: -150.917
Base-Backbone interact. energy: -0.187
local terms energy: -135.811764
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -37.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -447.644421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.644421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.644421 (E_RNA)
where:
Base-Base interactions energy: -316.834
where: short stacking energy: -140.576
Base-Backbone interact. energy: -2.306
local terms energy: -128.504437
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -38.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -432.987431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.987431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.987431 (E_RNA)
where:
Base-Base interactions energy: -299.572
where: short stacking energy: -129.108
Base-Backbone interact. energy: -0.012
local terms energy: -133.403679
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -37.655
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: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -379.108963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.108963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.108963 (E_RNA)
where:
Base-Base interactions energy: -266.055
where: short stacking energy: -105.247
Base-Backbone interact. energy: -1.098
local terms energy: -111.955847
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -19.151
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -385.851776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.851776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.851776 (E_RNA)
where:
Base-Base interactions energy: -268.125
where: short stacking energy: -108.739
Base-Backbone interact. energy: 0.306
local terms energy: -118.032631
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -26.062
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: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -309.411025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.411025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.411025 (E_RNA)
where:
Base-Base interactions energy: -206.553
where: short stacking energy: -118.964
Base-Backbone interact. energy: -0.331
local terms energy: -102.527273
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -25.307
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: 336
Temperature: 1.300000
Total energy: -275.770588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.770588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.770588 (E_RNA)
where:
Base-Base interactions energy: -160.206
where: short stacking energy: -88.016
Base-Backbone interact. energy: 0.450
local terms energy: -116.015358
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -248.485105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.485105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.485105 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -72.729
Base-Backbone interact. energy: -1.124
local terms energy: -90.215358
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -489.999662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.999662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.999662 (E_RNA)
where:
Base-Base interactions energy: -343.525
where: short stacking energy: -152.891
Base-Backbone interact. energy: -0.005
local terms energy: -146.469455
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -40.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -485.611341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.611341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.611341 (E_RNA)
where:
Base-Base interactions energy: -341.888
where: short stacking energy: -155.408
Base-Backbone interact. energy: -0.041
local terms energy: -143.682658
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -43.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -482.542354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.542354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.542354 (E_RNA)
where:
Base-Base interactions energy: -342.639
where: short stacking energy: -153.195
Base-Backbone interact. energy: -0.060
local terms energy: -139.843458
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -41.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -461.085488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.085488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.085488 (E_RNA)
where:
Base-Base interactions energy: -311.604
where: short stacking energy: -141.439
Base-Backbone interact. energy: -0.747
local terms energy: -148.734248
where:
bonds (distance) C4'-P energy: -30.258
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -40.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -447.485550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.485550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.485550 (E_RNA)
where:
Base-Base interactions energy: -303.022
where: short stacking energy: -139.228
Base-Backbone interact. energy: -0.020
local terms energy: -144.443692
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -35.505
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: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -372.170606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.170606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.170606 (E_RNA)
where:
Base-Base interactions energy: -263.383
where: short stacking energy: -104.715
Base-Backbone interact. energy: -0.999
local terms energy: -107.788986
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -392.667057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.667057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.667057 (E_RNA)
where:
Base-Base interactions energy: -273.644
where: short stacking energy: -106.089
Base-Backbone interact. energy: -0.753
local terms energy: -118.270039
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -282.844361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.844361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.844361 (E_RNA)
where:
Base-Base interactions energy: -174.822
where: short stacking energy: -97.373
Base-Backbone interact. energy: -0.310
local terms energy: -107.712287
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -263.702518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.702518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.702518 (E_RNA)
where:
Base-Base interactions energy: -174.744
where: short stacking energy: -84.261
Base-Backbone interact. energy: -0.388
local terms energy: -88.570578
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -238.255755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.255755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.255755 (E_RNA)
where:
Base-Base interactions energy: -133.459
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.952
local terms energy: -103.844771
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -495.140000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.140000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.140000 (E_RNA)
where:
Base-Base interactions energy: -341.911
where: short stacking energy: -154.096
Base-Backbone interact. energy: -0.014
local terms energy: -153.214871
where:
bonds (distance) C4'-P energy: -30.566
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -37.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -485.898515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.898515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.898515 (E_RNA)
where:
Base-Base interactions energy: -339.217
where: short stacking energy: -146.258
Base-Backbone interact. energy: 1.788
local terms energy: -148.469163
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -39.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -479.357938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.357938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.357938 (E_RNA)
where:
Base-Base interactions energy: -338.733
where: short stacking energy: -157.062
Base-Backbone interact. energy: -0.046
local terms energy: -140.578358
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -43.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -454.014458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.014458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.014458 (E_RNA)
where:
Base-Base interactions energy: -321.327
where: short stacking energy: -139.874
Base-Backbone interact. energy: -0.049
local terms energy: -132.638567
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -29.654
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -33.515
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: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -455.229421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.229421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.229421 (E_RNA)
where:
Base-Base interactions energy: -313.131
where: short stacking energy: -144.109
Base-Backbone interact. energy: -1.173
local terms energy: -140.925872
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -42.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -377.930323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.930323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.930323 (E_RNA)
where:
Base-Base interactions energy: -257.753
where: short stacking energy: -123.210
Base-Backbone interact. energy: 1.046
local terms energy: -121.223456
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -30.359
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: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -379.119923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.119923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.119923 (E_RNA)
where:
Base-Base interactions energy: -261.769
where: short stacking energy: -112.649
Base-Backbone interact. energy: 0.394
local terms energy: -117.744081
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -23.776
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -273.274726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.274726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.274726 (E_RNA)
where:
Base-Base interactions energy: -172.788
where: short stacking energy: -89.687
Base-Backbone interact. energy: -0.511
local terms energy: -99.975514
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -14.179
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: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -292.059388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.059388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.059388 (E_RNA)
where:
Base-Base interactions energy: -185.595
where: short stacking energy: -80.480
Base-Backbone interact. energy: -0.538
local terms energy: -105.926239
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -254.671923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.671923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.671923 (E_RNA)
where:
Base-Base interactions energy: -155.719
where: short stacking energy: -74.105
Base-Backbone interact. energy: 0.543
local terms energy: -99.495177
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -492.127277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.127277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.127277 (E_RNA)
where:
Base-Base interactions energy: -348.318
where: short stacking energy: -162.911
Base-Backbone interact. energy: -0.231
local terms energy: -143.577630
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -37.501
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: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -479.828886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.828886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.828886 (E_RNA)
where:
Base-Base interactions energy: -332.838
where: short stacking energy: -155.371
Base-Backbone interact. energy: -0.009
local terms energy: -146.981488
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -40.467
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: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -488.932973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.932973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.932973 (E_RNA)
where:
Base-Base interactions energy: -340.135
where: short stacking energy: -157.433
Base-Backbone interact. energy: -0.142
local terms energy: -148.656677
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: -42.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -445.547069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.547069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.547069 (E_RNA)
where:
Base-Base interactions energy: -324.943
where: short stacking energy: -139.078
Base-Backbone interact. energy: -0.337
local terms energy: -120.266671
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -25.840
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -36.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -440.831394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.831394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.831394 (E_RNA)
where:
Base-Base interactions energy: -300.665
where: short stacking energy: -143.946
Base-Backbone interact. energy: -0.176
local terms energy: -139.991071
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -39.604
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: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -392.385692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.385692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.385692 (E_RNA)
where:
Base-Base interactions energy: -263.535
where: short stacking energy: -127.704
Base-Backbone interact. energy: -0.630
local terms energy: -128.220248
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -30.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -370.673021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.673021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.673021 (E_RNA)
where:
Base-Base interactions energy: -254.087
where: short stacking energy: -104.885
Base-Backbone interact. energy: 0.789
local terms energy: -117.375002
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -296.250088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.250088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.250088 (E_RNA)
where:
Base-Base interactions energy: -179.670
where: short stacking energy: -102.802
Base-Backbone interact. energy: -0.915
local terms energy: -115.664699
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -277.608012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.608012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.608012 (E_RNA)
where:
Base-Base interactions energy: -170.988
where: short stacking energy: -83.872
Base-Backbone interact. energy: -0.381
local terms energy: -106.238822
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -237.745555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.745555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.745555 (E_RNA)
where:
Base-Base interactions energy: -147.008
where: short stacking energy: -65.529
Base-Backbone interact. energy: -1.611
local terms energy: -89.126273
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -13.370
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: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -497.606927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.606927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.606927 (E_RNA)
where:
Base-Base interactions energy: -345.607
where: short stacking energy: -168.646
Base-Backbone interact. energy: -0.001
local terms energy: -151.999128
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -42.354
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: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -490.698064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.698064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.698064 (E_RNA)
where:
Base-Base interactions energy: -349.872
where: short stacking energy: -159.459
Base-Backbone interact. energy: -0.006
local terms energy: -140.820306
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -40.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -450.685507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.685507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.685507 (E_RNA)
where:
Base-Base interactions energy: -310.308
where: short stacking energy: -134.667
Base-Backbone interact. energy: -0.833
local terms energy: -139.544167
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -30.734
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -38.862
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: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -469.933962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.933962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.933962 (E_RNA)
where:
Base-Base interactions energy: -324.650
where: short stacking energy: -152.158
Base-Backbone interact. energy: -0.956
local terms energy: -144.327145
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -42.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -439.906351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.906351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.906351 (E_RNA)
where:
Base-Base interactions energy: -302.127
where: short stacking energy: -132.534
Base-Backbone interact. energy: -0.404
local terms energy: -137.375335
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -38.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -401.291118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.291118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.291118 (E_RNA)
where:
Base-Base interactions energy: -281.201
where: short stacking energy: -111.263
Base-Backbone interact. energy: -0.286
local terms energy: -119.803282
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -35.828
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: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -353.261231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.261231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.261231 (E_RNA)
where:
Base-Base interactions energy: -234.898
where: short stacking energy: -102.690
Base-Backbone interact. energy: -0.564
local terms energy: -117.799616
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -25.990
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -332.524246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.524246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.524246 (E_RNA)
where:
Base-Base interactions energy: -239.000
where: short stacking energy: -105.330
Base-Backbone interact. energy: -0.248
local terms energy: -93.276946
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -24.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -268.250181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.250181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.250181 (E_RNA)
where:
Base-Base interactions energy: -171.616
where: short stacking energy: -82.994
Base-Backbone interact. energy: -0.298
local terms energy: -96.336485
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -260.235058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.235058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.235058 (E_RNA)
where:
Base-Base interactions energy: -155.930
where: short stacking energy: -77.892
Base-Backbone interact. energy: 1.550
local terms energy: -105.855285
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -32.710
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -498.751806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.751806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.751806 (E_RNA)
where:
Base-Base interactions energy: -343.092
where: short stacking energy: -160.828
Base-Backbone interact. energy: -0.590
local terms energy: -155.069418
where:
bonds (distance) C4'-P energy: -24.779
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -22.472
tors. eta vs tors. theta energy: -41.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -495.526327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.526327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.526327 (E_RNA)
where:
Base-Base interactions energy: -338.369
where: short stacking energy: -158.784
Base-Backbone interact. energy: -0.134
local terms energy: -157.023270
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -41.502
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: 341
Temperature: 1.000000
Total energy: -450.179926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.179926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.179926 (E_RNA)
where:
Base-Base interactions energy: -308.675
where: short stacking energy: -148.474
Base-Backbone interact. energy: -0.507
local terms energy: -140.998336
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -37.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -462.132883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.132883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.132883 (E_RNA)
where:
Base-Base interactions energy: -328.803
where: short stacking energy: -138.710
Base-Backbone interact. energy: -0.239
local terms energy: -133.090982
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -36.823
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: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -440.244494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.244494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.244494 (E_RNA)
where:
Base-Base interactions energy: -311.919
where: short stacking energy: -149.125
Base-Backbone interact. energy: -0.070
local terms energy: -128.255511
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -33.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -418.975193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.975193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.975193 (E_RNA)
where:
Base-Base interactions energy: -293.028
where: short stacking energy: -133.777
Base-Backbone interact. energy: 0.078
local terms energy: -126.024928
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -33.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -374.769297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.769297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.769297 (E_RNA)
where:
Base-Base interactions energy: -257.314
where: short stacking energy: -116.313
Base-Backbone interact. energy: 0.991
local terms energy: -118.446232
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -29.911
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: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -367.314499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.314499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.314499 (E_RNA)
where:
Base-Base interactions energy: -253.485
where: short stacking energy: -104.318
Base-Backbone interact. energy: -0.195
local terms energy: -113.634652
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -25.229
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: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -270.613865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.613865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.613865 (E_RNA)
where:
Base-Base interactions energy: -180.867
where: short stacking energy: -105.870
Base-Backbone interact. energy: -0.608
local terms energy: -89.138909
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -25.663
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: 341
Temperature: 1.350000
Total energy: -228.732372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732372 (E_RNA)
where:
Base-Base interactions energy: -143.180
where: short stacking energy: -57.628
Base-Backbone interact. energy: 4.970
local terms energy: -90.522019
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -481.387477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.387477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.387477 (E_RNA)
where:
Base-Base interactions energy: -344.454
where: short stacking energy: -151.073
Base-Backbone interact. energy: -1.096
local terms energy: -135.837291
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -489.414907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.414907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.414907 (E_RNA)
where:
Base-Base interactions energy: -353.442
where: short stacking energy: -163.151
Base-Backbone interact. energy: -0.982
local terms energy: -134.990429
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -27.697
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -40.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -474.027236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.027236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.027236 (E_RNA)
where:
Base-Base interactions energy: -329.756
where: short stacking energy: -153.241
Base-Backbone interact. energy: -0.631
local terms energy: -143.640130
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -41.738
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: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -441.767813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.767813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.767813 (E_RNA)
where:
Base-Base interactions energy: -301.933
where: short stacking energy: -135.111
Base-Backbone interact. energy: -0.018
local terms energy: -139.815844
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -444.132525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.132525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.132525 (E_RNA)
where:
Base-Base interactions energy: -314.590
where: short stacking energy: -128.776
Base-Backbone interact. energy: -0.142
local terms energy: -129.400796
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -32.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -429.031137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.031137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.031137 (E_RNA)
where:
Base-Base interactions energy: -297.188
where: short stacking energy: -135.126
Base-Backbone interact. energy: -0.287
local terms energy: -131.555536
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -34.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -365.686646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.686646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.686646 (E_RNA)
where:
Base-Base interactions energy: -242.696
where: short stacking energy: -99.099
Base-Backbone interact. energy: -0.219
local terms energy: -122.772140
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -26.901
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: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -328.410502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.410502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.410502 (E_RNA)
where:
Base-Base interactions energy: -231.190
where: short stacking energy: -105.846
Base-Backbone interact. energy: -0.444
local terms energy: -96.776727
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -10.782
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: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -266.925017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.925017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.925017 (E_RNA)
where:
Base-Base interactions energy: -160.723
where: short stacking energy: -81.995
Base-Backbone interact. energy: -0.289
local terms energy: -105.913513
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -276.273507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.273507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.273507 (E_RNA)
where:
Base-Base interactions energy: -184.891
where: short stacking energy: -91.167
Base-Backbone interact. energy: -1.267
local terms energy: -90.114652
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -481.492517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.492517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.492517 (E_RNA)
where:
Base-Base interactions energy: -338.111
where: short stacking energy: -155.943
Base-Backbone interact. energy: -0.706
local terms energy: -142.675418
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -37.208
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: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -479.549271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.549271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.549271 (E_RNA)
where:
Base-Base interactions energy: -336.536
where: short stacking energy: -152.313
Base-Backbone interact. energy: -0.676
local terms energy: -142.337362
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -29.964
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -38.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -483.491714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.491714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.491714 (E_RNA)
where:
Base-Base interactions energy: -341.515
where: short stacking energy: -147.713
Base-Backbone interact. energy: -0.993
local terms energy: -140.983647
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -39.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -442.263045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.263045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.263045 (E_RNA)
where:
Base-Base interactions energy: -305.785
where: short stacking energy: -131.553
Base-Backbone interact. energy: -0.436
local terms energy: -136.042094
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -40.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -430.255875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.255875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.255875 (E_RNA)
where:
Base-Base interactions energy: -296.274
where: short stacking energy: -134.224
Base-Backbone interact. energy: -0.944
local terms energy: -133.037650
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -37.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -385.901357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.901357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.901357 (E_RNA)
where:
Base-Base interactions energy: -268.043
where: short stacking energy: -126.341
Base-Backbone interact. energy: -0.788
local terms energy: -117.070576
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -439.578216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.578216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.578216 (E_RNA)
where:
Base-Base interactions energy: -304.842
where: short stacking energy: -131.686
Base-Backbone interact. energy: -0.653
local terms energy: -134.083475
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -38.218
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: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -337.262511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.262511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.262511 (E_RNA)
where:
Base-Base interactions energy: -230.570
where: short stacking energy: -106.724
Base-Backbone interact. energy: -1.656
local terms energy: -105.036908
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -255.022979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.022979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.022979 (E_RNA)
where:
Base-Base interactions energy: -163.501
where: short stacking energy: -87.322
Base-Backbone interact. energy: -1.221
local terms energy: -90.301002
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -261.504901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.504901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.504901 (E_RNA)
where:
Base-Base interactions energy: -174.723
where: short stacking energy: -81.617
Base-Backbone interact. energy: -0.047
local terms energy: -86.734173
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -19.915
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: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -491.739242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.739242 (E_RNA)
where:
Base-Base interactions energy: -345.875
where: short stacking energy: -154.393
Base-Backbone interact. energy: -0.504
local terms energy: -145.360669
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -38.760
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -481.682618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.682618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.682618 (E_RNA)
where:
Base-Base interactions energy: -344.868
where: short stacking energy: -151.485
Base-Backbone interact. energy: -0.591
local terms energy: -136.222780
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -41.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -470.112382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.112382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.112382 (E_RNA)
where:
Base-Base interactions energy: -328.979
where: short stacking energy: -152.197
Base-Backbone interact. energy: 0.712
local terms energy: -141.845573
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -40.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -455.678558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.678558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.678558 (E_RNA)
where:
Base-Base interactions energy: -316.370
where: short stacking energy: -138.858
Base-Backbone interact. energy: -2.068
local terms energy: -137.240192
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -38.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -435.672122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.672122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.672122 (E_RNA)
where:
Base-Base interactions energy: -308.136
where: short stacking energy: -137.118
Base-Backbone interact. energy: -0.004
local terms energy: -127.532523
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -34.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -402.815876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.815876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.815876 (E_RNA)
where:
Base-Base interactions energy: -279.574
where: short stacking energy: -117.042
Base-Backbone interact. energy: -0.467
local terms energy: -122.774694
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -30.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -423.093764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.093764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.093764 (E_RNA)
where:
Base-Base interactions energy: -291.021
where: short stacking energy: -131.102
Base-Backbone interact. energy: -0.729
local terms energy: -131.343743
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -28.451
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -34.726
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: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -359.013778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.013778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.013778 (E_RNA)
where:
Base-Base interactions energy: -252.482
where: short stacking energy: -115.781
Base-Backbone interact. energy: 3.178
local terms energy: -109.709600
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -25.733
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: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -260.067508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.067508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.067508 (E_RNA)
where:
Base-Base interactions energy: -165.058
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.525
local terms energy: -94.484607
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -14.842
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: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -262.257151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.257151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.257151 (E_RNA)
where:
Base-Base interactions energy: -159.437
where: short stacking energy: -83.836
Base-Backbone interact. energy: 0.231
local terms energy: -103.050631
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -493.605959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.605959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.605959 (E_RNA)
where:
Base-Base interactions energy: -342.733
where: short stacking energy: -154.849
Base-Backbone interact. energy: -0.299
local terms energy: -150.574425
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -496.481091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.481091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.481091 (E_RNA)
where:
Base-Base interactions energy: -344.319
where: short stacking energy: -162.667
Base-Backbone interact. energy: 0.432
local terms energy: -152.593687
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -33.663
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -42.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -466.119800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.119800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.119800 (E_RNA)
where:
Base-Base interactions energy: -328.738
where: short stacking energy: -141.985
Base-Backbone interact. energy: -0.742
local terms energy: -136.639937
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -37.239
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: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -439.423270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.423270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.423270 (E_RNA)
where:
Base-Base interactions energy: -304.893
where: short stacking energy: -140.423
Base-Backbone interact. energy: -1.368
local terms energy: -133.162451
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -425.230759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.230759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.230759 (E_RNA)
where:
Base-Base interactions energy: -295.237
where: short stacking energy: -128.733
Base-Backbone interact. energy: -2.181
local terms energy: -127.813036
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -35.617
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -424.234989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.234989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.234989 (E_RNA)
where:
Base-Base interactions energy: -285.034
where: short stacking energy: -140.747
Base-Backbone interact. energy: -0.596
local terms energy: -138.605444
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -40.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -384.052717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.052717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.052717 (E_RNA)
where:
Base-Base interactions energy: -263.962
where: short stacking energy: -107.734
Base-Backbone interact. energy: 1.525
local terms energy: -121.616110
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -25.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -359.647940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.647940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.647940 (E_RNA)
where:
Base-Base interactions energy: -245.735
where: short stacking energy: -107.296
Base-Backbone interact. energy: -1.712
local terms energy: -112.201092
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -250.330225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.330225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.330225 (E_RNA)
where:
Base-Base interactions energy: -152.352
where: short stacking energy: -70.638
Base-Backbone interact. energy: 1.303
local terms energy: -99.280893
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -269.165908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.165908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.165908 (E_RNA)
where:
Base-Base interactions energy: -177.562
where: short stacking energy: -86.314
Base-Backbone interact. energy: -0.618
local terms energy: -90.986014
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -13.506
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: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -485.753557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.753557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.753557 (E_RNA)
where:
Base-Base interactions energy: -347.508
where: short stacking energy: -151.027
Base-Backbone interact. energy: -0.384
local terms energy: -137.861367
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -40.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -482.237923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.237923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.237923 (E_RNA)
where:
Base-Base interactions energy: -325.511
where: short stacking energy: -142.314
Base-Backbone interact. energy: -0.301
local terms energy: -156.426240
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -40.203
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: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -465.269470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.269470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.269470 (E_RNA)
where:
Base-Base interactions energy: -326.777
where: short stacking energy: -145.543
Base-Backbone interact. energy: -1.076
local terms energy: -137.417023
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -38.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -472.810690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.810690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.810690 (E_RNA)
where:
Base-Base interactions energy: -333.124
where: short stacking energy: -151.964
Base-Backbone interact. energy: -1.398
local terms energy: -138.288062
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -40.506
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -424.885204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.885204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.885204 (E_RNA)
where:
Base-Base interactions energy: -290.003
where: short stacking energy: -128.041
Base-Backbone interact. energy: -0.806
local terms energy: -134.075534
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -35.598
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: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -423.881258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.881258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.881258 (E_RNA)
where:
Base-Base interactions energy: -291.221
where: short stacking energy: -121.595
Base-Backbone interact. energy: -0.274
local terms energy: -132.385757
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -38.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -390.574726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.574726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.574726 (E_RNA)
where:
Base-Base interactions energy: -263.388
where: short stacking energy: -114.006
Base-Backbone interact. energy: -0.178
local terms energy: -127.008545
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -32.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -319.012644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.012644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.012644 (E_RNA)
where:
Base-Base interactions energy: -201.657
where: short stacking energy: -88.905
Base-Backbone interact. energy: -0.760
local terms energy: -116.595129
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -19.671
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: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -267.453412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.453412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.453412 (E_RNA)
where:
Base-Base interactions energy: -165.145
where: short stacking energy: -84.946
Base-Backbone interact. energy: 0.796
local terms energy: -103.104030
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -13.896
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: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -260.133731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.133731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.133731 (E_RNA)
where:
Base-Base interactions energy: -152.623
where: short stacking energy: -78.434
Base-Backbone interact. energy: 0.033
local terms energy: -107.543734
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -18.458
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: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -484.626963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.626963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.626963 (E_RNA)
where:
Base-Base interactions energy: -335.919
where: short stacking energy: -158.365
Base-Backbone interact. energy: -0.794
local terms energy: -147.914179
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -42.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -483.937354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.937354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.937354 (E_RNA)
where:
Base-Base interactions energy: -339.769
where: short stacking energy: -153.064
Base-Backbone interact. energy: -0.229
local terms energy: -143.939451
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -40.857
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: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -458.190178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.190178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.190178 (E_RNA)
where:
Base-Base interactions energy: -321.234
where: short stacking energy: -135.078
Base-Backbone interact. energy: -1.238
local terms energy: -135.717803
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -32.931
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: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -449.653865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.653865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.653865 (E_RNA)
where:
Base-Base interactions energy: -313.077
where: short stacking energy: -142.929
Base-Backbone interact. energy: -0.030
local terms energy: -136.547712
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -41.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -451.715082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.715082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.715082 (E_RNA)
where:
Base-Base interactions energy: -321.629
where: short stacking energy: -138.445
Base-Backbone interact. energy: -0.032
local terms energy: -130.054185
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -34.239
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: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -416.370392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.370392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.370392 (E_RNA)
where:
Base-Base interactions energy: -292.219
where: short stacking energy: -122.917
Base-Backbone interact. energy: -0.182
local terms energy: -123.968765
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -34.285
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: 347
Temperature: 1.200000
Total energy: -355.444585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.444585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.444585 (E_RNA)
where:
Base-Base interactions energy: -241.476
where: short stacking energy: -100.250
Base-Backbone interact. energy: 0.154
local terms energy: -114.121982
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -31.264
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -339.574568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.574568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.574568 (E_RNA)
where:
Base-Base interactions energy: -236.476
where: short stacking energy: -101.852
Base-Backbone interact. energy: -0.548
local terms energy: -102.550550
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -4.458
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: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -235.974628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.974628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.974628 (E_RNA)
where:
Base-Base interactions energy: -141.144
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.184
local terms energy: -94.646208
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -9.461
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: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -252.905738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.905738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.905738 (E_RNA)
where:
Base-Base interactions energy: -161.909
where: short stacking energy: -82.128
Base-Backbone interact. energy: -1.208
local terms energy: -89.789107
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -14.336
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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -478.512397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.512397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.512397 (E_RNA)
where:
Base-Base interactions energy: -323.453
where: short stacking energy: -155.865
Base-Backbone interact. energy: -0.020
local terms energy: -155.039382
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -36.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -474.052934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.052934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.052934 (E_RNA)
where:
Base-Base interactions energy: -332.828
where: short stacking energy: -145.328
Base-Backbone interact. energy: -0.311
local terms energy: -140.914151
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -41.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -461.497103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.497103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.497103 (E_RNA)
where:
Base-Base interactions energy: -325.447
where: short stacking energy: -139.102
Base-Backbone interact. energy: -1.536
local terms energy: -134.514115
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -39.585
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -456.956849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.956849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.956849 (E_RNA)
where:
Base-Base interactions energy: -314.147
where: short stacking energy: -147.881
Base-Backbone interact. energy: -0.706
local terms energy: -142.103742
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -42.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -453.725589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.725589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.725589 (E_RNA)
where:
Base-Base interactions energy: -313.461
where: short stacking energy: -139.972
Base-Backbone interact. energy: -0.803
local terms energy: -139.462065
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -38.421
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: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -423.061162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.061162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.061162 (E_RNA)
where:
Base-Base interactions energy: -312.885
where: short stacking energy: -143.599
Base-Backbone interact. energy: 5.848
local terms energy: -116.024072
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -38.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -361.493927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.493927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.493927 (E_RNA)
where:
Base-Base interactions energy: -253.913
where: short stacking energy: -112.899
Base-Backbone interact. energy: 0.353
local terms energy: -107.934449
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -25.084
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: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -330.634924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.634924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.634924 (E_RNA)
where:
Base-Base interactions energy: -237.405
where: short stacking energy: -102.773
Base-Backbone interact. energy: -0.375
local terms energy: -92.854735
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -23.877
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -256.083053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.083053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.083053 (E_RNA)
where:
Base-Base interactions energy: -154.487
where: short stacking energy: -76.295
Base-Backbone interact. energy: -0.294
local terms energy: -101.302739
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -232.624961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.624961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.624961 (E_RNA)
where:
Base-Base interactions energy: -137.028
where: short stacking energy: -79.810
Base-Backbone interact. energy: -1.366
local terms energy: -94.230826
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -9.982
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: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -477.754916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.754916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.754916 (E_RNA)
where:
Base-Base interactions energy: -327.444
where: short stacking energy: -159.284
Base-Backbone interact. energy: -0.134
local terms energy: -150.177090
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -42.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -472.920091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.920091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.920091 (E_RNA)
where:
Base-Base interactions energy: -323.181
where: short stacking energy: -145.492
Base-Backbone interact. energy: 0.144
local terms energy: -149.882261
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -37.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -469.612442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.612442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.612442 (E_RNA)
where:
Base-Base interactions energy: -334.943
where: short stacking energy: -149.800
Base-Backbone interact. energy: -1.166
local terms energy: -133.502951
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -39.448
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: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -449.773328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.773328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.773328 (E_RNA)
where:
Base-Base interactions energy: -305.931
where: short stacking energy: -130.267
Base-Backbone interact. energy: -0.043
local terms energy: -143.799445
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -39.536
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: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -447.899224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.899224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.899224 (E_RNA)
where:
Base-Base interactions energy: -312.277
where: short stacking energy: -149.439
Base-Backbone interact. energy: -0.097
local terms energy: -135.525476
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -43.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -428.275276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.275276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.275276 (E_RNA)
where:
Base-Base interactions energy: -290.373
where: short stacking energy: -125.387
Base-Backbone interact. energy: -0.769
local terms energy: -137.133481
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -35.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -423.987651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.987651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.987651 (E_RNA)
where:
Base-Base interactions energy: -289.306
where: short stacking energy: -132.432
Base-Backbone interact. energy: -0.633
local terms energy: -134.048915
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -32.186
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -34.633
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: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -345.997646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.997646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.997646 (E_RNA)
where:
Base-Base interactions energy: -247.506
where: short stacking energy: -108.214
Base-Backbone interact. energy: -0.880
local terms energy: -97.611416
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -274.878125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.878125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.878125 (E_RNA)
where:
Base-Base interactions energy: -161.589
where: short stacking energy: -83.119
Base-Backbone interact. energy: -0.393
local terms energy: -112.896474
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -238.404185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.404185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.404185 (E_RNA)
where:
Base-Base interactions energy: -143.195
where: short stacking energy: -73.151
Base-Backbone interact. energy: 0.035
local terms energy: -95.244730
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -10.068
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: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -469.545973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.545973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.545973 (E_RNA)
where:
Base-Base interactions energy: -323.432
where: short stacking energy: -138.983
Base-Backbone interact. energy: -0.759
local terms energy: -145.355526
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -39.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -479.220962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.220962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.220962 (E_RNA)
where:
Base-Base interactions energy: -331.528
where: short stacking energy: -157.031
Base-Backbone interact. energy: -0.846
local terms energy: -146.846812
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -39.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -479.408959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.408959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.408959 (E_RNA)
where:
Base-Base interactions energy: -340.532
where: short stacking energy: -144.044
Base-Backbone interact. energy: -0.519
local terms energy: -138.357046
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -40.063
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: 350
Temperature: 1.050000
Total energy: -478.948916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.948916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.948916 (E_RNA)
where:
Base-Base interactions energy: -333.967
where: short stacking energy: -146.473
Base-Backbone interact. energy: -0.925
local terms energy: -144.056859
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -38.422
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: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -416.351290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.351290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.351290 (E_RNA)
where:
Base-Base interactions energy: -293.073
where: short stacking energy: -122.375
Base-Backbone interact. energy: -1.197
local terms energy: -122.080994
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -433.787083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.787083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.787083 (E_RNA)
where:
Base-Base interactions energy: -302.104
where: short stacking energy: -135.723
Base-Backbone interact. energy: 0.254
local terms energy: -131.937038
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -39.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -398.543059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.543059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.543059 (E_RNA)
where:
Base-Base interactions energy: -271.561
where: short stacking energy: -118.477
Base-Backbone interact. energy: -0.407
local terms energy: -126.575636
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -30.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -336.842060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.842060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.842060 (E_RNA)
where:
Base-Base interactions energy: -238.306
where: short stacking energy: -92.309
Base-Backbone interact. energy: 1.692
local terms energy: -100.228616
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -16.505
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: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -262.943472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.943472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.943472 (E_RNA)
where:
Base-Base interactions energy: -180.942
where: short stacking energy: -87.577
Base-Backbone interact. energy: 0.221
local terms energy: -82.222478
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -251.940471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.940471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.940471 (E_RNA)
where:
Base-Base interactions energy: -144.491
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.423
local terms energy: -107.026373
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -472.659483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.659483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.659483 (E_RNA)
where:
Base-Base interactions energy: -323.687
where: short stacking energy: -143.232
Base-Backbone interact. energy: -1.726
local terms energy: -147.246382
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -38.852
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -487.625676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.625676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.625676 (E_RNA)
where:
Base-Base interactions energy: -346.006
where: short stacking energy: -152.224
Base-Backbone interact. energy: -0.779
local terms energy: -140.840527
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -41.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -469.070085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.070085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.070085 (E_RNA)
where:
Base-Base interactions energy: -326.983
where: short stacking energy: -142.091
Base-Backbone interact. energy: -0.931
local terms energy: -141.156565
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -38.914
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: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -469.232163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.232163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.232163 (E_RNA)
where:
Base-Base interactions energy: -335.614
where: short stacking energy: -142.567
Base-Backbone interact. energy: -0.315
local terms energy: -133.303944
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -38.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -419.137224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.137224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.137224 (E_RNA)
where:
Base-Base interactions energy: -291.306
where: short stacking energy: -118.255
Base-Backbone interact. energy: -0.092
local terms energy: -127.738935
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -26.975
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -432.276784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.276784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.276784 (E_RNA)
where:
Base-Base interactions energy: -300.777
where: short stacking energy: -136.553
Base-Backbone interact. energy: -0.005
local terms energy: -131.495142
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -40.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -394.202112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.202112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.202112 (E_RNA)
where:
Base-Base interactions energy: -274.272
where: short stacking energy: -113.847
Base-Backbone interact. energy: -0.674
local terms energy: -119.256466
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -28.173
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: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -348.503343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.503343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.503343 (E_RNA)
where:
Base-Base interactions energy: -238.458
where: short stacking energy: -105.367
Base-Backbone interact. energy: -0.739
local terms energy: -109.306376
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -25.314
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: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -277.412975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.412975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.412975 (E_RNA)
where:
Base-Base interactions energy: -191.964
where: short stacking energy: -91.012
Base-Backbone interact. energy: 0.428
local terms energy: -85.877181
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -20.488
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: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -253.147448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.147448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.147448 (E_RNA)
where:
Base-Base interactions energy: -147.641
where: short stacking energy: -84.808
Base-Backbone interact. energy: -0.598
local terms energy: -104.908130
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -484.077472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.077472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.077472 (E_RNA)
where:
Base-Base interactions energy: -339.238
where: short stacking energy: -154.559
Base-Backbone interact. energy: -0.008
local terms energy: -144.832140
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -473.924678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.924678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.924678 (E_RNA)
where:
Base-Base interactions energy: -325.987
where: short stacking energy: -144.134
Base-Backbone interact. energy: -2.195
local terms energy: -145.742850
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -27.769
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -40.487
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: 352
Temperature: 1.000000
Total energy: -472.444016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.444016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.444016 (E_RNA)
where:
Base-Base interactions energy: -326.593
where: short stacking energy: -150.979
Base-Backbone interact. energy: -0.381
local terms energy: -145.470588
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -42.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -443.491238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.491238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.491238 (E_RNA)
where:
Base-Base interactions energy: -300.714
where: short stacking energy: -134.910
Base-Backbone interact. energy: -0.035
local terms energy: -142.742417
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -39.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -437.155098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.155098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.155098 (E_RNA)
where:
Base-Base interactions energy: -307.410
where: short stacking energy: -136.295
Base-Backbone interact. energy: -1.465
local terms energy: -128.280291
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -416.651634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.651634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.651634 (E_RNA)
where:
Base-Base interactions energy: -288.972
where: short stacking energy: -132.768
Base-Backbone interact. energy: -2.393
local terms energy: -125.285725
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -40.040
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: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -352.953399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.953399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.953399 (E_RNA)
where:
Base-Base interactions energy: -240.189
where: short stacking energy: -110.498
Base-Backbone interact. energy: 0.687
local terms energy: -113.451178
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -25.506
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: 352
Temperature: 1.250000
Total energy: -386.096555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.096555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.096555 (E_RNA)
where:
Base-Base interactions energy: -269.021
where: short stacking energy: -117.713
Base-Backbone interact. energy: -0.244
local terms energy: -116.830851
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -25.629
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: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -275.521701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.521701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.521701 (E_RNA)
where:
Base-Base interactions energy: -171.232
where: short stacking energy: -90.650
Base-Backbone interact. energy: -0.423
local terms energy: -103.867654
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -23.156
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: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -247.373076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.373076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.373076 (E_RNA)
where:
Base-Base interactions energy: -149.964
where: short stacking energy: -72.975
Base-Backbone interact. energy: 0.120
local terms energy: -97.529525
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -488.899890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.899890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.899890 (E_RNA)
where:
Base-Base interactions energy: -342.540
where: short stacking energy: -153.825
Base-Backbone interact. energy: -0.014
local terms energy: -146.345604
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -41.678
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: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -475.953178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.953178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.953178 (E_RNA)
where:
Base-Base interactions energy: -341.429
where: short stacking energy: -153.911
Base-Backbone interact. energy: -0.293
local terms energy: -134.231515
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -457.391151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.391151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.391151 (E_RNA)
where:
Base-Base interactions energy: -314.394
where: short stacking energy: -137.920
Base-Backbone interact. energy: -0.500
local terms energy: -142.497737
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -40.759
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: 353
Temperature: 1.050000
Total energy: -454.162665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.162665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.162665 (E_RNA)
where:
Base-Base interactions energy: -307.200
where: short stacking energy: -141.145
Base-Backbone interact. energy: -0.278
local terms energy: -146.685051
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -27.804
flat angles C4'-P-C4' energy: -31.513
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -39.233
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: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -448.150144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.150144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.150144 (E_RNA)
where:
Base-Base interactions energy: -317.330
where: short stacking energy: -145.898
Base-Backbone interact. energy: -0.091
local terms energy: -130.729052
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -35.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -412.855416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.855416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.855416 (E_RNA)
where:
Base-Base interactions energy: -273.559
where: short stacking energy: -126.477
Base-Backbone interact. energy: 2.061
local terms energy: -141.356882
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -39.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -358.297810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.297810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.297810 (E_RNA)
where:
Base-Base interactions energy: -241.032
where: short stacking energy: -112.082
Base-Backbone interact. energy: -1.029
local terms energy: -116.236988
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -26.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -372.001400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.001400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.001400 (E_RNA)
where:
Base-Base interactions energy: -278.601
where: short stacking energy: -103.345
Base-Backbone interact. energy: -1.099
local terms energy: -92.301125
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -268.277809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.277809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.277809 (E_RNA)
where:
Base-Base interactions energy: -169.479
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.413
local terms energy: -98.385250
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -17.773
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: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -262.220726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.220726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.220726 (E_RNA)
where:
Base-Base interactions energy: -162.793
where: short stacking energy: -81.369
Base-Backbone interact. energy: -0.483
local terms energy: -98.944238
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -497.417984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.417984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.417984 (E_RNA)
where:
Base-Base interactions energy: -355.935
where: short stacking energy: -161.944
Base-Backbone interact. energy: -0.071
local terms energy: -141.411846
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -43.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -485.450936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.450936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.450936 (E_RNA)
where:
Base-Base interactions energy: -345.822
where: short stacking energy: -162.735
Base-Backbone interact. energy: -0.529
local terms energy: -139.099671
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -40.977
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: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -453.221834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.221834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.221834 (E_RNA)
where:
Base-Base interactions energy: -318.083
where: short stacking energy: -148.839
Base-Backbone interact. energy: 0.958
local terms energy: -136.097454
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -38.471
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: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -455.261572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.261572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.261572 (E_RNA)
where:
Base-Base interactions energy: -323.729
where: short stacking energy: -132.825
Base-Backbone interact. energy: 0.930
local terms energy: -132.462215
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -37.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -452.760031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.760031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.760031 (E_RNA)
where:
Base-Base interactions energy: -315.131
where: short stacking energy: -137.504
Base-Backbone interact. energy: 1.057
local terms energy: -138.685550
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -38.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -421.761264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.761264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.761264 (E_RNA)
where:
Base-Base interactions energy: -289.381
where: short stacking energy: -130.983
Base-Backbone interact. energy: -0.156
local terms energy: -132.224956
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -37.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -387.648671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.648671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.648671 (E_RNA)
where:
Base-Base interactions energy: -267.791
where: short stacking energy: -124.205
Base-Backbone interact. energy: -0.398
local terms energy: -119.459744
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -31.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -370.424764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.424764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.424764 (E_RNA)
where:
Base-Base interactions energy: -258.013
where: short stacking energy: -102.661
Base-Backbone interact. energy: -0.461
local terms energy: -111.950681
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -31.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -275.964973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.964973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.964973 (E_RNA)
where:
Base-Base interactions energy: -158.611
where: short stacking energy: -83.190
Base-Backbone interact. energy: -0.021
local terms energy: -117.332700
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -31.577
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -16.244
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: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -253.471644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.471644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.471644 (E_RNA)
where:
Base-Base interactions energy: -155.875
where: short stacking energy: -68.355
Base-Backbone interact. energy: -1.233
local terms energy: -96.363009
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -504.727275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.727275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.727275 (E_RNA)
where:
Base-Base interactions energy: -351.435
where: short stacking energy: -162.585
Base-Backbone interact. energy: -0.305
local terms energy: -152.987009
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -45.105
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -486.567752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.567752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.567752 (E_RNA)
where:
Base-Base interactions energy: -347.316
where: short stacking energy: -154.089
Base-Backbone interact. energy: 1.225
local terms energy: -140.477065
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -20.709
tors. eta vs tors. theta energy: -41.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -455.363540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.363540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.363540 (E_RNA)
where:
Base-Base interactions energy: -319.346
where: short stacking energy: -155.132
Base-Backbone interact. energy: -0.224
local terms energy: -135.793531
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -29.195
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -42.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -466.343970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.343970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.343970 (E_RNA)
where:
Base-Base interactions energy: -325.579
where: short stacking energy: -158.558
Base-Backbone interact. energy: -0.440
local terms energy: -140.325025
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -454.129157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.129157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.129157 (E_RNA)
where:
Base-Base interactions energy: -319.724
where: short stacking energy: -141.231
Base-Backbone interact. energy: -0.361
local terms energy: -134.044343
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -40.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -424.204945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.204945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.204945 (E_RNA)
where:
Base-Base interactions energy: -296.418
where: short stacking energy: -128.003
Base-Backbone interact. energy: -0.020
local terms energy: -127.767273
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -30.352
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: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -383.495171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.495171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.495171 (E_RNA)
where:
Base-Base interactions energy: -271.067
where: short stacking energy: -110.631
Base-Backbone interact. energy: -0.208
local terms energy: -112.220166
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -357.955694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.955694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.955694 (E_RNA)
where:
Base-Base interactions energy: -253.514
where: short stacking energy: -116.570
Base-Backbone interact. energy: -0.996
local terms energy: -103.445780
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -268.099164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.099164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.099164 (E_RNA)
where:
Base-Base interactions energy: -166.824
where: short stacking energy: -94.272
Base-Backbone interact. energy: -0.109
local terms energy: -101.165619
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -25.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -277.362193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.362193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.362193 (E_RNA)
where:
Base-Base interactions energy: -162.289
where: short stacking energy: -76.640
Base-Backbone interact. energy: -1.102
local terms energy: -113.971212
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -15.228
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: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -490.072558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.072558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.072558 (E_RNA)
where:
Base-Base interactions energy: -342.376
where: short stacking energy: -155.360
Base-Backbone interact. energy: -0.735
local terms energy: -146.961903
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -28.338
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -40.352
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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -476.254948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.254948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.254948 (E_RNA)
where:
Base-Base interactions energy: -328.870
where: short stacking energy: -151.404
Base-Backbone interact. energy: -0.711
local terms energy: -146.673729
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -22.477
tors. eta vs tors. theta energy: -43.905
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: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -464.129557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.129557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.129557 (E_RNA)
where:
Base-Base interactions energy: -326.746
where: short stacking energy: -146.527
Base-Backbone interact. energy: -0.305
local terms energy: -137.078927
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -39.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -451.462734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.462734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.462734 (E_RNA)
where:
Base-Base interactions energy: -302.936
where: short stacking energy: -141.704
Base-Backbone interact. energy: 0.151
local terms energy: -148.678239
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -39.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -422.578011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.578011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.578011 (E_RNA)
where:
Base-Base interactions energy: -300.955
where: short stacking energy: -123.329
Base-Backbone interact. energy: 0.557
local terms energy: -122.179667
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -26.896
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: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -437.547176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.547176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.547176 (E_RNA)
where:
Base-Base interactions energy: -309.395
where: short stacking energy: -135.046
Base-Backbone interact. energy: 1.204
local terms energy: -129.356790
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -39.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -365.389963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.389963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.389963 (E_RNA)
where:
Base-Base interactions energy: -241.730
where: short stacking energy: -110.580
Base-Backbone interact. energy: -0.040
local terms energy: -123.620733
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -353.454771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.454771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.454771 (E_RNA)
where:
Base-Base interactions energy: -237.882
where: short stacking energy: -115.085
Base-Backbone interact. energy: -0.104
local terms energy: -115.468375
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -20.873
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -278.359134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.359134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.359134 (E_RNA)
where:
Base-Base interactions energy: -187.418
where: short stacking energy: -78.204
Base-Backbone interact. energy: -2.726
local terms energy: -88.215570
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -12.986
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: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -256.627859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.627859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.627859 (E_RNA)
where:
Base-Base interactions energy: -161.956
where: short stacking energy: -86.704
Base-Backbone interact. energy: 1.210
local terms energy: -95.881675
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -22.289
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: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -501.467297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.467297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.467297 (E_RNA)
where:
Base-Base interactions energy: -344.241
where: short stacking energy: -158.426
Base-Backbone interact. energy: -0.003
local terms energy: -157.223465
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -45.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -494.549382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.549382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.549382 (E_RNA)
where:
Base-Base interactions energy: -352.184
where: short stacking energy: -163.628
Base-Backbone interact. energy: -0.195
local terms energy: -142.170887
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -40.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -463.348263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.348263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.348263 (E_RNA)
where:
Base-Base interactions energy: -322.773
where: short stacking energy: -155.373
Base-Backbone interact. energy: 0.474
local terms energy: -141.048829
where:
bonds (distance) C4'-P energy: -24.600
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -40.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -453.058434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.058434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.058434 (E_RNA)
where:
Base-Base interactions energy: -327.079
where: short stacking energy: -152.260
Base-Backbone interact. energy: -0.976
local terms energy: -125.003120
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -33.701
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: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -428.501155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.501155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.501155 (E_RNA)
where:
Base-Base interactions energy: -307.700
where: short stacking energy: -126.221
Base-Backbone interact. energy: -0.013
local terms energy: -120.788346
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -29.459
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: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -413.103503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.103503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.103503 (E_RNA)
where:
Base-Base interactions energy: -283.722
where: short stacking energy: -119.560
Base-Backbone interact. energy: -0.106
local terms energy: -129.275054
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -34.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -378.749127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.749127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.749127 (E_RNA)
where:
Base-Base interactions energy: -254.670
where: short stacking energy: -106.963
Base-Backbone interact. energy: -2.209
local terms energy: -121.870552
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -28.129
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: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -349.232370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.232370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.232370 (E_RNA)
where:
Base-Base interactions energy: -242.082
where: short stacking energy: -106.236
Base-Backbone interact. energy: -0.829
local terms energy: -106.321306
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -23.243
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: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -266.290234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.290234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.290234 (E_RNA)
where:
Base-Base interactions energy: -185.164
where: short stacking energy: -74.154
Base-Backbone interact. energy: -0.723
local terms energy: -80.403237
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -9.120
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: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -231.403090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.403090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.403090 (E_RNA)
where:
Base-Base interactions energy: -147.799
where: short stacking energy: -80.704
Base-Backbone interact. energy: 0.586
local terms energy: -84.190647
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -12.903
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: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -488.138273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.138273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.138273 (E_RNA)
where:
Base-Base interactions energy: -347.615
where: short stacking energy: -156.616
Base-Backbone interact. energy: -0.079
local terms energy: -140.443818
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -42.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -494.410744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.410744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.410744 (E_RNA)
where:
Base-Base interactions energy: -343.397
where: short stacking energy: -157.227
Base-Backbone interact. energy: -0.133
local terms energy: -150.880338
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -41.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -459.850835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.850835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.850835 (E_RNA)
where:
Base-Base interactions energy: -323.577
where: short stacking energy: -150.936
Base-Backbone interact. energy: -0.913
local terms energy: -135.360307
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -444.102110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.102110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.102110 (E_RNA)
where:
Base-Base interactions energy: -313.553
where: short stacking energy: -139.965
Base-Backbone interact. energy: -0.093
local terms energy: -130.455959
where:
bonds (distance) C4'-P energy: -26.199
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -39.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -437.505428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.505428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.505428 (E_RNA)
where:
Base-Base interactions energy: -300.379
where: short stacking energy: -118.959
Base-Backbone interact. energy: -0.160
local terms energy: -136.965685
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -37.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -426.034258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.034258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.034258 (E_RNA)
where:
Base-Base interactions energy: -304.510
where: short stacking energy: -124.395
Base-Backbone interact. energy: -1.090
local terms energy: -120.434407
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -25.969
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -31.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -364.287718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.287718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.287718 (E_RNA)
where:
Base-Base interactions energy: -246.923
where: short stacking energy: -110.886
Base-Backbone interact. energy: -0.836
local terms energy: -116.528313
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -27.707
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: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -381.021145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.021145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.021145 (E_RNA)
where:
Base-Base interactions energy: -266.494
where: short stacking energy: -120.011
Base-Backbone interact. energy: -1.010
local terms energy: -113.517397
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -31.062
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: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -282.756254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.756254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.756254 (E_RNA)
where:
Base-Base interactions energy: -170.464
where: short stacking energy: -77.587
Base-Backbone interact. energy: 0.094
local terms energy: -112.385629
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -19.784
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: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -235.520126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.520126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.520126 (E_RNA)
where:
Base-Base interactions energy: -135.698
where: short stacking energy: -76.195
Base-Backbone interact. energy: -1.627
local terms energy: -98.195350
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -487.387475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.387475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.387475 (E_RNA)
where:
Base-Base interactions energy: -345.415
where: short stacking energy: -149.784
Base-Backbone interact. energy: -0.364
local terms energy: -141.609038
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -39.654
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -477.577348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.577348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.577348 (E_RNA)
where:
Base-Base interactions energy: -322.004
where: short stacking energy: -147.335
Base-Backbone interact. energy: -0.648
local terms energy: -154.925161
where:
bonds (distance) C4'-P energy: -29.277
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -41.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -480.054608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.054608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.054608 (E_RNA)
where:
Base-Base interactions energy: -337.913
where: short stacking energy: -155.197
Base-Backbone interact. energy: -0.701
local terms energy: -141.440894
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -44.098
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: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -450.252099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.252099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.252099 (E_RNA)
where:
Base-Base interactions energy: -312.467
where: short stacking energy: -135.596
Base-Backbone interact. energy: -0.215
local terms energy: -137.569164
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -36.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -442.675772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.675772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.675772 (E_RNA)
where:
Base-Base interactions energy: -302.857
where: short stacking energy: -145.287
Base-Backbone interact. energy: -0.035
local terms energy: -139.784114
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -33.690
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -42.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -409.829573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.829573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.829573 (E_RNA)
where:
Base-Base interactions energy: -282.767
where: short stacking energy: -133.253
Base-Backbone interact. energy: -1.310
local terms energy: -125.753233
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -31.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -376.851970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.851970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.851970 (E_RNA)
where:
Base-Base interactions energy: -253.039
where: short stacking energy: -118.712
Base-Backbone interact. energy: -1.206
local terms energy: -122.607367
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -31.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -387.024121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.024121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.024121 (E_RNA)
where:
Base-Base interactions energy: -271.744
where: short stacking energy: -121.957
Base-Backbone interact. energy: -0.239
local terms energy: -115.040950
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -280.807197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.807197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.807197 (E_RNA)
where:
Base-Base interactions energy: -192.732
where: short stacking energy: -96.701
Base-Backbone interact. energy: -0.508
local terms energy: -87.566685
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -231.085649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.085649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.085649 (E_RNA)
where:
Base-Base interactions energy: -131.879
where: short stacking energy: -58.824
Base-Backbone interact. energy: -2.432
local terms energy: -96.774618
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -9.376
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: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -493.831416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.831416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.831416 (E_RNA)
where:
Base-Base interactions energy: -335.361
where: short stacking energy: -163.619
Base-Backbone interact. energy: -0.001
local terms energy: -158.469228
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -45.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -491.146091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.146091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.146091 (E_RNA)
where:
Base-Base interactions energy: -349.674
where: short stacking energy: -156.330
Base-Backbone interact. energy: -0.340
local terms energy: -141.132293
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -41.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -482.621164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.621164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.621164 (E_RNA)
where:
Base-Base interactions energy: -334.897
where: short stacking energy: -150.901
Base-Backbone interact. energy: -0.037
local terms energy: -147.687652
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -40.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -433.898665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.898665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.898665 (E_RNA)
where:
Base-Base interactions energy: -295.860
where: short stacking energy: -134.728
Base-Backbone interact. energy: -0.141
local terms energy: -137.897489
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -33.984
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: 360
Temperature: 1.100000
Total energy: -433.910289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.910289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.910289 (E_RNA)
where:
Base-Base interactions energy: -304.032
where: short stacking energy: -126.763
Base-Backbone interact. energy: 0.353
local terms energy: -130.230828
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -437.666524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.666524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.666524 (E_RNA)
where:
Base-Base interactions energy: -313.465
where: short stacking energy: -148.120
Base-Backbone interact. energy: -0.105
local terms energy: -124.096130
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -37.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -390.920382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.920382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.920382 (E_RNA)
where:
Base-Base interactions energy: -269.237
where: short stacking energy: -120.180
Base-Backbone interact. energy: -1.243
local terms energy: -120.440603
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -336.220170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.220170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.220170 (E_RNA)
where:
Base-Base interactions energy: -230.660
where: short stacking energy: -101.060
Base-Backbone interact. energy: 0.076
local terms energy: -105.635843
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -28.211
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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -215.386979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.386979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386979 (E_RNA)
where:
Base-Base interactions energy: -126.827
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.927
local terms energy: -87.632563
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -262.735814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.735814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.735814 (E_RNA)
where:
Base-Base interactions energy: -160.089
where: short stacking energy: -79.019
Base-Backbone interact. energy: -0.910
local terms energy: -101.736923
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -494.824528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.824528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.824528 (E_RNA)
where:
Base-Base interactions energy: -345.644
where: short stacking energy: -169.827
Base-Backbone interact. energy: 0.260
local terms energy: -149.440546
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -24.098
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -42.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -484.268114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.268114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.268114 (E_RNA)
where:
Base-Base interactions energy: -341.223
where: short stacking energy: -152.248
Base-Backbone interact. energy: -0.328
local terms energy: -142.717433
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -484.314691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.314691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.314691 (E_RNA)
where:
Base-Base interactions energy: -340.709
where: short stacking energy: -154.394
Base-Backbone interact. energy: -0.007
local terms energy: -143.598602
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -40.758
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: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -442.289201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.289201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.289201 (E_RNA)
where:
Base-Base interactions energy: -307.491
where: short stacking energy: -141.806
Base-Backbone interact. energy: -0.106
local terms energy: -134.693012
where:
bonds (distance) C4'-P energy: -28.182
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -36.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -436.719671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.719671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.719671 (E_RNA)
where:
Base-Base interactions energy: -300.741
where: short stacking energy: -128.693
Base-Backbone interact. energy: -2.505
local terms energy: -133.472960
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -32.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -461.794784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.794784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.794784 (E_RNA)
where:
Base-Base interactions energy: -330.739
where: short stacking energy: -150.013
Base-Backbone interact. energy: -0.674
local terms energy: -130.382128
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -402.654145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.654145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.654145 (E_RNA)
where:
Base-Base interactions energy: -282.691
where: short stacking energy: -128.225
Base-Backbone interact. energy: -2.830
local terms energy: -117.132705
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -341.475058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.475058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.475058 (E_RNA)
where:
Base-Base interactions energy: -220.119
where: short stacking energy: -104.813
Base-Backbone interact. energy: -1.961
local terms energy: -119.394920
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -218.474229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.474229 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -87.576
Base-Backbone interact. energy: 1.839
local terms energy: -78.274601
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -25.298
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -13.120
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: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -265.200962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.200962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.200962 (E_RNA)
where:
Base-Base interactions energy: -169.988
where: short stacking energy: -86.036
Base-Backbone interact. energy: -1.458
local terms energy: -93.754499
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -480.027009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.027009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.027009 (E_RNA)
where:
Base-Base interactions energy: -329.416
where: short stacking energy: -162.664
Base-Backbone interact. energy: -0.754
local terms energy: -149.856986
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -44.449
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: 362
Temperature: 0.950000
Total energy: -473.456087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.456087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.456087 (E_RNA)
where:
Base-Base interactions energy: -334.110
where: short stacking energy: -154.659
Base-Backbone interact. energy: -0.609
local terms energy: -138.737249
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -39.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -450.961669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.961669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.961669 (E_RNA)
where:
Base-Base interactions energy: -307.050
where: short stacking energy: -138.473
Base-Backbone interact. energy: -0.691
local terms energy: -143.220083
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -27.685
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -34.808
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: 362
Temperature: 1.050000
Total energy: -469.761171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.761171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.761171 (E_RNA)
where:
Base-Base interactions energy: -326.989
where: short stacking energy: -148.608
Base-Backbone interact. energy: 0.295
local terms energy: -143.067346
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -45.492
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: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -432.905304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.905304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.905304 (E_RNA)
where:
Base-Base interactions energy: -312.207
where: short stacking energy: -144.404
Base-Backbone interact. energy: -0.313
local terms energy: -120.385923
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -33.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -422.132198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.132198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.132198 (E_RNA)
where:
Base-Base interactions energy: -289.873
where: short stacking energy: -126.931
Base-Backbone interact. energy: -0.109
local terms energy: -132.150315
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -37.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -353.523771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.523771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.523771 (E_RNA)
where:
Base-Base interactions energy: -231.618
where: short stacking energy: -96.134
Base-Backbone interact. energy: -1.440
local terms energy: -120.465973
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -20.876
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -399.561197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.561197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.561197 (E_RNA)
where:
Base-Base interactions energy: -293.534
where: short stacking energy: -117.334
Base-Backbone interact. energy: -0.468
local terms energy: -105.559593
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -259.581833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.581833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.581833 (E_RNA)
where:
Base-Base interactions energy: -153.916
where: short stacking energy: -83.472
Base-Backbone interact. energy: 0.335
local terms energy: -106.000564
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -223.099658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.099658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.099658 (E_RNA)
where:
Base-Base interactions energy: -130.359
where: short stacking energy: -60.049
Base-Backbone interact. energy: -1.216
local terms energy: -91.524384
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -3.963
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: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -481.865482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.865482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.865482 (E_RNA)
where:
Base-Base interactions energy: -332.845
where: short stacking energy: -162.508
Base-Backbone interact. energy: 1.328
local terms energy: -150.348870
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -43.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -479.005977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.005977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.005977 (E_RNA)
where:
Base-Base interactions energy: -326.311
where: short stacking energy: -144.589
Base-Backbone interact. energy: -0.318
local terms energy: -152.376536
where:
bonds (distance) C4'-P energy: -30.103
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -43.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -465.094539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.094539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.094539 (E_RNA)
where:
Base-Base interactions energy: -325.452
where: short stacking energy: -147.719
Base-Backbone interact. energy: -0.543
local terms energy: -139.099244
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -41.081
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: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -456.021527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.021527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.021527 (E_RNA)
where:
Base-Base interactions energy: -318.798
where: short stacking energy: -148.178
Base-Backbone interact. energy: -0.539
local terms energy: -136.684723
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -40.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -457.730976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.730976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.730976 (E_RNA)
where:
Base-Base interactions energy: -310.445
where: short stacking energy: -142.427
Base-Backbone interact. energy: -0.721
local terms energy: -146.564781
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -427.636231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.636231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.636231 (E_RNA)
where:
Base-Base interactions energy: -299.493
where: short stacking energy: -129.914
Base-Backbone interact. energy: -1.602
local terms energy: -126.541570
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -36.000
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: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -362.703769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.703769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.703769 (E_RNA)
where:
Base-Base interactions energy: -238.418
where: short stacking energy: -107.992
Base-Backbone interact. energy: -0.444
local terms energy: -123.841321
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -30.485
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -20.521
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: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -400.464178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.464178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.464178 (E_RNA)
where:
Base-Base interactions energy: -282.767
where: short stacking energy: -123.633
Base-Backbone interact. energy: -0.259
local terms energy: -117.438084
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -38.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -249.920393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.920393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.920393 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.663
local terms energy: -100.019036
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -7.469
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: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -251.137723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.137723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.137723 (E_RNA)
where:
Base-Base interactions energy: -161.467
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.383
local terms energy: -89.287225
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -16.993
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: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -478.754390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.754390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.754390 (E_RNA)
where:
Base-Base interactions energy: -333.953
where: short stacking energy: -156.397
Base-Backbone interact. energy: -0.023
local terms energy: -144.779046
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -28.338
flat angles C4'-P-C4' energy: -30.236
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -37.792
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: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -467.462406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.462406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.462406 (E_RNA)
where:
Base-Base interactions energy: -317.527
where: short stacking energy: -157.345
Base-Backbone interact. energy: -1.343
local terms energy: -148.592444
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -479.444703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.444703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.444703 (E_RNA)
where:
Base-Base interactions energy: -330.710
where: short stacking energy: -162.149
Base-Backbone interact. energy: -0.153
local terms energy: -148.580766
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -44.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -451.776881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.776881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.776881 (E_RNA)
where:
Base-Base interactions energy: -318.730
where: short stacking energy: -143.168
Base-Backbone interact. energy: -0.415
local terms energy: -132.631500
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -38.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -443.093270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.093270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.093270 (E_RNA)
where:
Base-Base interactions energy: -316.457
where: short stacking energy: -139.447
Base-Backbone interact. energy: 0.262
local terms energy: -126.897552
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -35.869
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: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -435.664738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.664738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.664738 (E_RNA)
where:
Base-Base interactions energy: -303.898
where: short stacking energy: -128.055
Base-Backbone interact. energy: -0.492
local terms energy: -131.274797
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -18.275
tors. eta vs tors. theta energy: -33.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -426.804555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.804555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.804555 (E_RNA)
where:
Base-Base interactions energy: -303.357
where: short stacking energy: -132.032
Base-Backbone interact. energy: -0.383
local terms energy: -123.064860
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -34.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -350.644718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.644718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.644718 (E_RNA)
where:
Base-Base interactions energy: -248.954
where: short stacking energy: -105.510
Base-Backbone interact. energy: 4.370
local terms energy: -106.060901
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -262.493663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.493663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.493663 (E_RNA)
where:
Base-Base interactions energy: -157.707
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.170
local terms energy: -104.616532
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -234.398915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.398915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.398915 (E_RNA)
where:
Base-Base interactions energy: -138.547
where: short stacking energy: -73.407
Base-Backbone interact. energy: 1.422
local terms energy: -97.273255
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -464.748738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.748738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.748738 (E_RNA)
where:
Base-Base interactions energy: -314.835
where: short stacking energy: -142.233
Base-Backbone interact. energy: -0.325
local terms energy: -149.589132
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -41.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -483.074871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.074871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.074871 (E_RNA)
where:
Base-Base interactions energy: -334.887
where: short stacking energy: -156.212
Base-Backbone interact. energy: 1.040
local terms energy: -149.227234
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -42.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -467.376816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.376816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.376816 (E_RNA)
where:
Base-Base interactions energy: -325.139
where: short stacking energy: -158.820
Base-Backbone interact. energy: -0.001
local terms energy: -142.236640
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -44.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -454.215133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.215133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.215133 (E_RNA)
where:
Base-Base interactions energy: -320.913
where: short stacking energy: -135.433
Base-Backbone interact. energy: -1.186
local terms energy: -132.116381
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -36.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -428.509341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.509341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.509341 (E_RNA)
where:
Base-Base interactions energy: -296.546
where: short stacking energy: -122.644
Base-Backbone interact. energy: -2.890
local terms energy: -129.072796
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -24.702
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -36.042
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -432.451399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.451399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.451399 (E_RNA)
where:
Base-Base interactions energy: -311.938
where: short stacking energy: -129.740
Base-Backbone interact. energy: 0.968
local terms energy: -121.481256
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -27.784
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: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -402.124148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.124148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.124148 (E_RNA)
where:
Base-Base interactions energy: -281.750
where: short stacking energy: -114.202
Base-Backbone interact. energy: 1.214
local terms energy: -121.588597
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -326.292377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.292377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.292377 (E_RNA)
where:
Base-Base interactions energy: -216.313
where: short stacking energy: -92.719
Base-Backbone interact. energy: 2.076
local terms energy: -112.055617
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -31.018
flat angles C4'-P-C4' energy: -26.857
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -19.157
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: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -255.056755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.056755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.056755 (E_RNA)
where:
Base-Base interactions energy: -147.375
where: short stacking energy: -63.948
Base-Backbone interact. energy: -0.487
local terms energy: -107.194530
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -241.762245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.762245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.762245 (E_RNA)
where:
Base-Base interactions energy: -149.313
where: short stacking energy: -81.667
Base-Backbone interact. energy: 0.361
local terms energy: -92.810310
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -478.604938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.604938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.604938 (E_RNA)
where:
Base-Base interactions energy: -338.749
where: short stacking energy: -154.393
Base-Backbone interact. energy: -0.132
local terms energy: -139.724319
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -457.560064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.560064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.560064 (E_RNA)
where:
Base-Base interactions energy: -328.031
where: short stacking energy: -155.768
Base-Backbone interact. energy: 0.383
local terms energy: -129.912713
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -28.685
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -37.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -467.139229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.139229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.139229 (E_RNA)
where:
Base-Base interactions energy: -318.899
where: short stacking energy: -154.026
Base-Backbone interact. energy: -0.641
local terms energy: -147.598775
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -41.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -476.193397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.193397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.193397 (E_RNA)
where:
Base-Base interactions energy: -337.333
where: short stacking energy: -151.714
Base-Backbone interact. energy: -0.369
local terms energy: -138.491895
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -39.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -439.646397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.646397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.646397 (E_RNA)
where:
Base-Base interactions energy: -315.332
where: short stacking energy: -128.554
Base-Backbone interact. energy: -0.536
local terms energy: -123.778309
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -445.624319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.624319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.624319 (E_RNA)
where:
Base-Base interactions energy: -329.521
where: short stacking energy: -140.878
Base-Backbone interact. energy: -1.445
local terms energy: -114.657608
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -42.276
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: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -398.660343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.660343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.660343 (E_RNA)
where:
Base-Base interactions energy: -286.723
where: short stacking energy: -108.293
Base-Backbone interact. energy: -1.902
local terms energy: -110.035288
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -341.968268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.968268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.968268 (E_RNA)
where:
Base-Base interactions energy: -239.022
where: short stacking energy: -99.022
Base-Backbone interact. energy: 0.816
local terms energy: -103.761823
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -270.820977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.820977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.820977 (E_RNA)
where:
Base-Base interactions energy: -171.735
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.806
local terms energy: -98.279769
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -17.317
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -246.642581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.642581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.642581 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -78.620
Base-Backbone interact. energy: 1.518
local terms energy: -89.913371
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -492.706628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.706628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.706628 (E_RNA)
where:
Base-Base interactions energy: -343.363
where: short stacking energy: -159.989
Base-Backbone interact. energy: -0.536
local terms energy: -148.808209
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -45.819
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: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -486.823564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.823564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.823564 (E_RNA)
where:
Base-Base interactions energy: -334.478
where: short stacking energy: -159.512
Base-Backbone interact. energy: -0.048
local terms energy: -152.297094
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -42.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -460.827638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.827638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.827638 (E_RNA)
where:
Base-Base interactions energy: -326.823
where: short stacking energy: -136.619
Base-Backbone interact. energy: 0.257
local terms energy: -134.261970
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -37.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -474.170076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.170076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.170076 (E_RNA)
where:
Base-Base interactions energy: -342.248
where: short stacking energy: -140.833
Base-Backbone interact. energy: -0.057
local terms energy: -131.865268
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -37.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -427.637190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.637190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.637190 (E_RNA)
where:
Base-Base interactions energy: -303.343
where: short stacking energy: -137.406
Base-Backbone interact. energy: -0.478
local terms energy: -123.816142
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -39.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -444.619559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.619559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.619559 (E_RNA)
where:
Base-Base interactions energy: -318.446
where: short stacking energy: -128.970
Base-Backbone interact. energy: -1.104
local terms energy: -125.069102
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -36.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -398.150155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.150155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.150155 (E_RNA)
where:
Base-Base interactions energy: -294.567
where: short stacking energy: -121.162
Base-Backbone interact. energy: -0.267
local terms energy: -103.316172
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -343.580208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.580208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.580208 (E_RNA)
where:
Base-Base interactions energy: -221.665
where: short stacking energy: -94.009
Base-Backbone interact. energy: -2.357
local terms energy: -119.558651
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -25.462
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: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -277.094787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.094787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.094787 (E_RNA)
where:
Base-Base interactions energy: -181.724
where: short stacking energy: -80.948
Base-Backbone interact. energy: -1.774
local terms energy: -93.597301
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -15.598
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: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -258.141095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.141095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.141095 (E_RNA)
where:
Base-Base interactions energy: -160.949
where: short stacking energy: -90.954
Base-Backbone interact. energy: -0.163
local terms energy: -97.028324
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -487.935701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.935701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.935701 (E_RNA)
where:
Base-Base interactions energy: -335.606
where: short stacking energy: -153.503
Base-Backbone interact. energy: -1.241
local terms energy: -151.088792
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -43.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -482.270069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.270069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.270069 (E_RNA)
where:
Base-Base interactions energy: -335.048
where: short stacking energy: -151.299
Base-Backbone interact. energy: -0.958
local terms energy: -146.263458
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -40.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -465.046287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.046287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.046287 (E_RNA)
where:
Base-Base interactions energy: -315.730
where: short stacking energy: -145.544
Base-Backbone interact. energy: -1.467
local terms energy: -147.848364
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -463.254664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.254664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.254664 (E_RNA)
where:
Base-Base interactions energy: -321.107
where: short stacking energy: -148.557
Base-Backbone interact. energy: -0.944
local terms energy: -141.204256
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -39.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -432.112209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.112209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.112209 (E_RNA)
where:
Base-Base interactions energy: -302.770
where: short stacking energy: -140.884
Base-Backbone interact. energy: -0.365
local terms energy: -128.977094
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -28.977
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -37.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -436.344742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.344742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.344742 (E_RNA)
where:
Base-Base interactions energy: -299.366
where: short stacking energy: -131.305
Base-Backbone interact. energy: -0.439
local terms energy: -136.539478
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -36.921
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: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -404.909347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.909347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.909347 (E_RNA)
where:
Base-Base interactions energy: -294.892
where: short stacking energy: -122.366
Base-Backbone interact. energy: 2.433
local terms energy: -112.449851
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -29.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -345.083161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.083161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.083161 (E_RNA)
where:
Base-Base interactions energy: -233.862
where: short stacking energy: -104.016
Base-Backbone interact. energy: -0.485
local terms energy: -110.736086
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -19.320
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: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -293.345701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.345701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.345701 (E_RNA)
where:
Base-Base interactions energy: -200.260
where: short stacking energy: -82.356
Base-Backbone interact. energy: -1.139
local terms energy: -91.946421
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -244.242469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.242469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.242469 (E_RNA)
where:
Base-Base interactions energy: -139.745
where: short stacking energy: -77.306
Base-Backbone interact. energy: -0.341
local terms energy: -104.157059
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -16.056
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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -476.145765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.145765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.145765 (E_RNA)
where:
Base-Base interactions energy: -327.092
where: short stacking energy: -146.168
Base-Backbone interact. energy: -0.575
local terms energy: -148.478325
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -480.961443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.961443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.961443 (E_RNA)
where:
Base-Base interactions energy: -334.497
where: short stacking energy: -152.544
Base-Backbone interact. energy: -0.686
local terms energy: -145.778464
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -30.935
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -41.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -453.913461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.913461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.913461 (E_RNA)
where:
Base-Base interactions energy: -322.680
where: short stacking energy: -151.512
Base-Backbone interact. energy: -0.481
local terms energy: -130.753069
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -27.952
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -38.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -440.626248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.626248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.626248 (E_RNA)
where:
Base-Base interactions energy: -309.399
where: short stacking energy: -143.556
Base-Backbone interact. energy: 2.800
local terms energy: -134.026795
where:
bonds (distance) C4'-P energy: -26.397
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -38.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -435.587103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.587103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.587103 (E_RNA)
where:
Base-Base interactions energy: -304.392
where: short stacking energy: -132.887
Base-Backbone interact. energy: 1.412
local terms energy: -132.607683
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -31.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -415.410436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.410436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.410436 (E_RNA)
where:
Base-Base interactions energy: -293.450
where: short stacking energy: -117.268
Base-Backbone interact. energy: -1.081
local terms energy: -120.879906
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -27.030
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -403.320065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.320065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.320065 (E_RNA)
where:
Base-Base interactions energy: -283.719
where: short stacking energy: -116.579
Base-Backbone interact. energy: 1.404
local terms energy: -121.004973
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -320.208648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.208648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.208648 (E_RNA)
where:
Base-Base interactions energy: -222.944
where: short stacking energy: -93.729
Base-Backbone interact. energy: -0.142
local terms energy: -97.122821
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -6.781
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: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -278.370833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.370833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.370833 (E_RNA)
where:
Base-Base interactions energy: -173.545
where: short stacking energy: -95.155
Base-Backbone interact. energy: -0.080
local terms energy: -104.745686
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -11.907
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: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -240.587080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.587080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.587080 (E_RNA)
where:
Base-Base interactions energy: -162.702
where: short stacking energy: -71.102
Base-Backbone interact. energy: -1.208
local terms energy: -76.677356
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -481.007520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.007520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.007520 (E_RNA)
where:
Base-Base interactions energy: -324.648
where: short stacking energy: -150.873
Base-Backbone interact. energy: -0.490
local terms energy: -155.869209
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -29.389
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -41.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -482.324101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.324101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.324101 (E_RNA)
where:
Base-Base interactions energy: -342.802
where: short stacking energy: -151.460
Base-Backbone interact. energy: -0.030
local terms energy: -139.492319
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -41.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -471.146624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.146624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.146624 (E_RNA)
where:
Base-Base interactions energy: -318.089
where: short stacking energy: -142.721
Base-Backbone interact. energy: -0.495
local terms energy: -152.562262
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -42.744
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: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -462.508124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.508124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.508124 (E_RNA)
where:
Base-Base interactions energy: -321.702
where: short stacking energy: -146.263
Base-Backbone interact. energy: -0.011
local terms energy: -140.795477
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -43.508
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: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -418.289978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.289978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.289978 (E_RNA)
where:
Base-Base interactions energy: -296.639
where: short stacking energy: -135.262
Base-Backbone interact. energy: -0.366
local terms energy: -121.285377
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -29.638
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: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -434.796118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.796118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.796118 (E_RNA)
where:
Base-Base interactions energy: -307.097
where: short stacking energy: -139.995
Base-Backbone interact. energy: -0.633
local terms energy: -127.065645
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -36.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -400.348761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.348761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.348761 (E_RNA)
where:
Base-Base interactions energy: -292.514
where: short stacking energy: -112.944
Base-Backbone interact. energy: 3.968
local terms energy: -111.802675
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -326.927162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.927162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.927162 (E_RNA)
where:
Base-Base interactions energy: -226.206
where: short stacking energy: -99.180
Base-Backbone interact. energy: 0.677
local terms energy: -101.398934
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -9.985
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: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -272.218425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.218425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.218425 (E_RNA)
where:
Base-Base interactions energy: -170.443
where: short stacking energy: -86.172
Base-Backbone interact. energy: -0.751
local terms energy: -101.024538
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -219.879414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.879414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.879414 (E_RNA)
where:
Base-Base interactions energy: -122.815
where: short stacking energy: -71.197
Base-Backbone interact. energy: 0.819
local terms energy: -97.883430
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -8.192
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -480.940229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.940229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.940229 (E_RNA)
where:
Base-Base interactions energy: -331.631
where: short stacking energy: -154.655
Base-Backbone interact. energy: -0.004
local terms energy: -149.305602
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -44.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -497.241537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.241537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.241537 (E_RNA)
where:
Base-Base interactions energy: -343.714
where: short stacking energy: -154.779
Base-Backbone interact. energy: -0.423
local terms energy: -153.103762
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -44.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -460.070921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.070921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.070921 (E_RNA)
where:
Base-Base interactions energy: -308.634
where: short stacking energy: -149.907
Base-Backbone interact. energy: -1.135
local terms energy: -150.301918
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -40.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -469.119328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.119328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.119328 (E_RNA)
where:
Base-Base interactions energy: -322.545
where: short stacking energy: -141.500
Base-Backbone interact. energy: -0.885
local terms energy: -145.688829
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -40.178
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: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -431.431653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.431653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.431653 (E_RNA)
where:
Base-Base interactions energy: -300.880
where: short stacking energy: -135.296
Base-Backbone interact. energy: -0.818
local terms energy: -129.734088
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -33.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -423.713858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.713858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.713858 (E_RNA)
where:
Base-Base interactions energy: -302.114
where: short stacking energy: -134.481
Base-Backbone interact. energy: -0.210
local terms energy: -121.389476
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -37.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -384.298693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.298693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.298693 (E_RNA)
where:
Base-Base interactions energy: -268.081
where: short stacking energy: -109.787
Base-Backbone interact. energy: -1.326
local terms energy: -114.891675
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -25.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -336.185315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.185315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.185315 (E_RNA)
where:
Base-Base interactions energy: -221.488
where: short stacking energy: -94.593
Base-Backbone interact. energy: 1.581
local terms energy: -116.277459
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -265.030063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.030063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.030063 (E_RNA)
where:
Base-Base interactions energy: -168.659
where: short stacking energy: -85.114
Base-Backbone interact. energy: -0.430
local terms energy: -95.941073
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -276.616772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.616772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.616772 (E_RNA)
where:
Base-Base interactions energy: -182.452
where: short stacking energy: -77.540
Base-Backbone interact. energy: -1.253
local terms energy: -92.912057
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -13.572
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: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -493.490767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.490767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.490767 (E_RNA)
where:
Base-Base interactions energy: -344.200
where: short stacking energy: -155.513
Base-Backbone interact. energy: -0.872
local terms energy: -148.418621
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -482.608118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.608118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.608118 (E_RNA)
where:
Base-Base interactions energy: -338.881
where: short stacking energy: -163.404
Base-Backbone interact. energy: -0.002
local terms energy: -143.725631
where:
bonds (distance) C4'-P energy: -26.025
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -42.024
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: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -486.043495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.043495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.043495 (E_RNA)
where:
Base-Base interactions energy: -339.435
where: short stacking energy: -149.331
Base-Backbone interact. energy: -0.702
local terms energy: -145.906083
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -38.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -437.878092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.878092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.878092 (E_RNA)
where:
Base-Base interactions energy: -313.774
where: short stacking energy: -142.324
Base-Backbone interact. energy: -1.031
local terms energy: -123.072812
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -38.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -425.091807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.091807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.091807 (E_RNA)
where:
Base-Base interactions energy: -300.696
where: short stacking energy: -143.224
Base-Backbone interact. energy: 0.781
local terms energy: -125.175947
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -36.498
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: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -439.132064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.132064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.132064 (E_RNA)
where:
Base-Base interactions energy: -299.128
where: short stacking energy: -130.908
Base-Backbone interact. energy: -0.124
local terms energy: -139.879297
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -40.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -356.891216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.891216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.891216 (E_RNA)
where:
Base-Base interactions energy: -246.795
where: short stacking energy: -100.224
Base-Backbone interact. energy: 1.148
local terms energy: -111.244668
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -28.423
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: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -326.537837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.537837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.537837 (E_RNA)
where:
Base-Base interactions energy: -208.695
where: short stacking energy: -97.301
Base-Backbone interact. energy: -0.806
local terms energy: -117.036751
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -24.878
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: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -277.911250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.911250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.911250 (E_RNA)
where:
Base-Base interactions energy: -165.063
where: short stacking energy: -77.725
Base-Backbone interact. energy: -0.238
local terms energy: -112.610646
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -14.417
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: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -264.585336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.585336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.585336 (E_RNA)
where:
Base-Base interactions energy: -165.266
where: short stacking energy: -86.047
Base-Backbone interact. energy: -1.272
local terms energy: -98.047026
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -16.854
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: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -487.571255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.571255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.571255 (E_RNA)
where:
Base-Base interactions energy: -336.028
where: short stacking energy: -157.036
Base-Backbone interact. energy: -1.503
local terms energy: -150.040879
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -21.722
tors. eta vs tors. theta energy: -44.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -480.417376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.417376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.417376 (E_RNA)
where:
Base-Base interactions energy: -332.489
where: short stacking energy: -150.833
Base-Backbone interact. energy: -0.002
local terms energy: -147.927076
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -37.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -464.620458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.620458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.620458 (E_RNA)
where:
Base-Base interactions energy: -314.782
where: short stacking energy: -146.565
Base-Backbone interact. energy: -1.354
local terms energy: -148.484264
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -455.400061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.400061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.400061 (E_RNA)
where:
Base-Base interactions energy: -314.895
where: short stacking energy: -141.488
Base-Backbone interact. energy: -1.014
local terms energy: -139.491588
where:
bonds (distance) C4'-P energy: -26.571
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -440.890392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.890392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.890392 (E_RNA)
where:
Base-Base interactions energy: -303.311
where: short stacking energy: -144.912
Base-Backbone interact. energy: -0.213
local terms energy: -137.366683
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -41.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -450.572455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.572455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.572455 (E_RNA)
where:
Base-Base interactions energy: -310.080
where: short stacking energy: -141.607
Base-Backbone interact. energy: -0.703
local terms energy: -139.789153
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -367.759533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.759533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.759533 (E_RNA)
where:
Base-Base interactions energy: -263.289
where: short stacking energy: -120.362
Base-Backbone interact. energy: -0.830
local terms energy: -103.640717
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -34.063
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: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -370.443287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.443287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.443287 (E_RNA)
where:
Base-Base interactions energy: -259.870
where: short stacking energy: -111.605
Base-Backbone interact. energy: -0.763
local terms energy: -109.810731
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -25.938
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -33.806
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: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -288.275208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.275208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.275208 (E_RNA)
where:
Base-Base interactions energy: -194.307
where: short stacking energy: -87.101
Base-Backbone interact. energy: -1.657
local terms energy: -92.311437
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -8.738
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -269.774878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.774878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.774878 (E_RNA)
where:
Base-Base interactions energy: -166.772
where: short stacking energy: -98.692
Base-Backbone interact. energy: -0.487
local terms energy: -102.515347
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -488.813629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.813629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.813629 (E_RNA)
where:
Base-Base interactions energy: -342.606
where: short stacking energy: -148.856
Base-Backbone interact. energy: -0.297
local terms energy: -145.910547
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -496.336074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.336074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.336074 (E_RNA)
where:
Base-Base interactions energy: -350.521
where: short stacking energy: -150.739
Base-Backbone interact. energy: -0.327
local terms energy: -145.488830
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -36.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -462.323842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.323842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.323842 (E_RNA)
where:
Base-Base interactions energy: -311.161
where: short stacking energy: -150.447
Base-Backbone interact. energy: -0.009
local terms energy: -151.154047
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -41.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -439.366573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.366573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.366573 (E_RNA)
where:
Base-Base interactions energy: -304.132
where: short stacking energy: -128.737
Base-Backbone interact. energy: -2.224
local terms energy: -133.011210
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -40.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -435.847705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.847705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.847705 (E_RNA)
where:
Base-Base interactions energy: -304.918
where: short stacking energy: -135.727
Base-Backbone interact. energy: -0.877
local terms energy: -130.053207
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -38.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -437.195901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.195901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.195901 (E_RNA)
where:
Base-Base interactions energy: -300.256
where: short stacking energy: -142.058
Base-Backbone interact. energy: -0.431
local terms energy: -136.509340
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -40.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -382.103376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.103376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.103376 (E_RNA)
where:
Base-Base interactions energy: -257.497
where: short stacking energy: -130.103
Base-Backbone interact. energy: -0.745
local terms energy: -123.861441
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -349.610922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.610922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.610922 (E_RNA)
where:
Base-Base interactions energy: -235.386
where: short stacking energy: -98.500
Base-Backbone interact. energy: -0.212
local terms energy: -114.013196
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -246.830188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.830188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.830188 (E_RNA)
where:
Base-Base interactions energy: -152.077
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.531
local terms energy: -94.221927
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -272.051008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.051008 (E_RNA)
where:
Base-Base interactions energy: -166.208
where: short stacking energy: -103.033
Base-Backbone interact. energy: -1.205
local terms energy: -104.638247
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -488.087674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.087674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.087674 (E_RNA)
where:
Base-Base interactions energy: -347.620
where: short stacking energy: -161.846
Base-Backbone interact. energy: -0.360
local terms energy: -140.107385
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -42.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -486.644188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.644188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.644188 (E_RNA)
where:
Base-Base interactions energy: -342.729
where: short stacking energy: -143.273
Base-Backbone interact. energy: -0.235
local terms energy: -143.680752
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -37.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -471.902001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.902001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.902001 (E_RNA)
where:
Base-Base interactions energy: -331.088
where: short stacking energy: -151.094
Base-Backbone interact. energy: -0.409
local terms energy: -140.404829
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -43.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -434.658497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.658497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.658497 (E_RNA)
where:
Base-Base interactions energy: -297.959
where: short stacking energy: -126.199
Base-Backbone interact. energy: -0.046
local terms energy: -136.652937
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -18.661
tors. eta vs tors. theta energy: -38.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -449.758236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.758236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.758236 (E_RNA)
where:
Base-Base interactions energy: -314.311
where: short stacking energy: -131.707
Base-Backbone interact. energy: -2.281
local terms energy: -133.166657
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -409.608242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.608242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.608242 (E_RNA)
where:
Base-Base interactions energy: -282.173
where: short stacking energy: -123.150
Base-Backbone interact. energy: -0.920
local terms energy: -126.514937
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -34.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -358.775649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.775649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.775649 (E_RNA)
where:
Base-Base interactions energy: -229.625
where: short stacking energy: -108.588
Base-Backbone interact. energy: -0.135
local terms energy: -129.016065
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -350.619946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.619946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.619946 (E_RNA)
where:
Base-Base interactions energy: -242.328
where: short stacking energy: -95.062
Base-Backbone interact. energy: 1.993
local terms energy: -110.285144
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -309.993841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.993841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.993841 (E_RNA)
where:
Base-Base interactions energy: -205.774
where: short stacking energy: -99.119
Base-Backbone interact. energy: -0.382
local terms energy: -103.838462
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -283.281174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.281174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.281174 (E_RNA)
where:
Base-Base interactions energy: -182.069
where: short stacking energy: -76.513
Base-Backbone interact. energy: 0.071
local terms energy: -101.283710
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -14.426
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: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -491.745303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.745303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.745303 (E_RNA)
where:
Base-Base interactions energy: -345.808
where: short stacking energy: -153.354
Base-Backbone interact. energy: -0.175
local terms energy: -145.762592
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -31.421
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -39.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -483.657625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.657625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.657625 (E_RNA)
where:
Base-Base interactions energy: -336.942
where: short stacking energy: -157.676
Base-Backbone interact. energy: -0.003
local terms energy: -146.711987
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -31.147
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -41.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -466.565177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.565177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.565177 (E_RNA)
where:
Base-Base interactions energy: -310.589
where: short stacking energy: -142.672
Base-Backbone interact. energy: -1.219
local terms energy: -154.756763
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -33.323
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -41.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -447.572307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.572307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.572307 (E_RNA)
where:
Base-Base interactions energy: -304.725
where: short stacking energy: -137.880
Base-Backbone interact. energy: -1.340
local terms energy: -141.507094
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -36.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -421.693217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.693217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.693217 (E_RNA)
where:
Base-Base interactions energy: -293.528
where: short stacking energy: -124.522
Base-Backbone interact. energy: -1.398
local terms energy: -126.767278
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -418.918882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.918882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.918882 (E_RNA)
where:
Base-Base interactions energy: -282.923
where: short stacking energy: -132.915
Base-Backbone interact. energy: -0.136
local terms energy: -135.859661
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -39.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -412.416074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.416074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.416074 (E_RNA)
where:
Base-Base interactions energy: -288.716
where: short stacking energy: -120.989
Base-Backbone interact. energy: -0.099
local terms energy: -123.600752
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -36.574
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: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -332.562683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.562683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.562683 (E_RNA)
where:
Base-Base interactions energy: -223.992
where: short stacking energy: -97.751
Base-Backbone interact. energy: -0.911
local terms energy: -107.660521
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -299.212442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.212442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.212442 (E_RNA)
where:
Base-Base interactions energy: -200.951
where: short stacking energy: -92.039
Base-Backbone interact. energy: -0.358
local terms energy: -97.903664
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -226.754225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.754225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.754225 (E_RNA)
where:
Base-Base interactions energy: -145.411
where: short stacking energy: -69.410
Base-Backbone interact. energy: 3.827
local terms energy: -85.170602
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -495.603481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.603481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.603481 (E_RNA)
where:
Base-Base interactions energy: -346.770
where: short stacking energy: -157.122
Base-Backbone interact. energy: -0.046
local terms energy: -148.788059
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -39.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -485.356956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.356956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.356956 (E_RNA)
where:
Base-Base interactions energy: -337.914
where: short stacking energy: -162.736
Base-Backbone interact. energy: -0.724
local terms energy: -146.718896
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -23.153
tors. eta vs tors. theta energy: -41.374
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: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -459.252754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.252754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.252754 (E_RNA)
where:
Base-Base interactions energy: -318.003
where: short stacking energy: -137.903
Base-Backbone interact. energy: -0.262
local terms energy: -140.988208
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -41.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -439.608914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.608914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.608914 (E_RNA)
where:
Base-Base interactions energy: -306.231
where: short stacking energy: -135.915
Base-Backbone interact. energy: -0.610
local terms energy: -132.768116
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -35.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -430.722554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.722554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.722554 (E_RNA)
where:
Base-Base interactions energy: -301.031
where: short stacking energy: -128.923
Base-Backbone interact. energy: -0.718
local terms energy: -128.973667
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -32.972
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: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -410.516089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.516089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.516089 (E_RNA)
where:
Base-Base interactions energy: -282.358
where: short stacking energy: -128.984
Base-Backbone interact. energy: -0.260
local terms energy: -127.897727
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -427.859185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.859185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.859185 (E_RNA)
where:
Base-Base interactions energy: -299.467
where: short stacking energy: -140.121
Base-Backbone interact. energy: -1.346
local terms energy: -127.046305
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -39.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -332.486817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.486817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.486817 (E_RNA)
where:
Base-Base interactions energy: -224.839
where: short stacking energy: -100.789
Base-Backbone interact. energy: -2.068
local terms energy: -105.580691
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -269.135648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.135648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.135648 (E_RNA)
where:
Base-Base interactions energy: -166.071
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.359
local terms energy: -102.705201
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -13.032
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: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -262.211406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.211406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.211406 (E_RNA)
where:
Base-Base interactions energy: -181.354
where: short stacking energy: -79.962
Base-Backbone interact. energy: -0.147
local terms energy: -80.709995
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -495.413613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.413613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.413613 (E_RNA)
where:
Base-Base interactions energy: -343.763
where: short stacking energy: -165.526
Base-Backbone interact. energy: -0.299
local terms energy: -151.351027
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -41.017
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: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -474.695129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.695129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.695129 (E_RNA)
where:
Base-Base interactions energy: -336.108
where: short stacking energy: -157.115
Base-Backbone interact. energy: -0.470
local terms energy: -138.116221
where:
bonds (distance) C4'-P energy: -26.413
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -42.117
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: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -440.100383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.100383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.100383 (E_RNA)
where:
Base-Base interactions energy: -310.191
where: short stacking energy: -133.631
Base-Backbone interact. energy: -1.377
local terms energy: -128.532584
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -32.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -451.688024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.688024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.688024 (E_RNA)
where:
Base-Base interactions energy: -308.031
where: short stacking energy: -133.045
Base-Backbone interact. energy: -0.982
local terms energy: -142.674756
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -40.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -424.664963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.664963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.664963 (E_RNA)
where:
Base-Base interactions energy: -287.988
where: short stacking energy: -119.047
Base-Backbone interact. energy: -1.115
local terms energy: -135.561885
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -36.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -408.914619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.914619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.914619 (E_RNA)
where:
Base-Base interactions energy: -279.396
where: short stacking energy: -130.514
Base-Backbone interact. energy: -0.047
local terms energy: -129.471389
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -32.336
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -33.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -402.411483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.411483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.411483 (E_RNA)
where:
Base-Base interactions energy: -276.675
where: short stacking energy: -127.231
Base-Backbone interact. energy: -0.256
local terms energy: -125.480426
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -34.531
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: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -340.293580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.293580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.293580 (E_RNA)
where:
Base-Base interactions energy: -233.461
where: short stacking energy: -95.657
Base-Backbone interact. energy: -1.214
local terms energy: -105.619309
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -279.054728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.054728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.054728 (E_RNA)
where:
Base-Base interactions energy: -180.851
where: short stacking energy: -78.457
Base-Backbone interact. energy: -1.083
local terms energy: -97.121153
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -11.849
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: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -275.380041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.380041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.380041 (E_RNA)
where:
Base-Base interactions energy: -175.772
where: short stacking energy: -78.828
Base-Backbone interact. energy: -0.440
local terms energy: -99.167569
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -481.796300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.796300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.796300 (E_RNA)
where:
Base-Base interactions energy: -337.799
where: short stacking energy: -154.508
Base-Backbone interact. energy: -0.634
local terms energy: -143.362846
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -40.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -452.388966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.388966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.388966 (E_RNA)
where:
Base-Base interactions energy: -314.980
where: short stacking energy: -134.708
Base-Backbone interact. energy: -2.169
local terms energy: -135.239988
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -35.421
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: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -480.989190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.989190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.989190 (E_RNA)
where:
Base-Base interactions energy: -341.838
where: short stacking energy: -152.322
Base-Backbone interact. energy: -0.002
local terms energy: -139.149229
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -39.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -448.230362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.230362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.230362 (E_RNA)
where:
Base-Base interactions energy: -311.182
where: short stacking energy: -145.256
Base-Backbone interact. energy: -0.695
local terms energy: -136.353181
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -39.651
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -429.508113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.508113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.508113 (E_RNA)
where:
Base-Base interactions energy: -303.501
where: short stacking energy: -138.762
Base-Backbone interact. energy: -0.052
local terms energy: -125.955993
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -39.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -400.826425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.826425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.826425 (E_RNA)
where:
Base-Base interactions energy: -287.853
where: short stacking energy: -124.293
Base-Backbone interact. energy: -0.865
local terms energy: -112.108379
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -31.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -389.433245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.433245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.433245 (E_RNA)
where:
Base-Base interactions energy: -272.617
where: short stacking energy: -110.956
Base-Backbone interact. energy: -0.430
local terms energy: -116.386612
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -337.344610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.344610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.344610 (E_RNA)
where:
Base-Base interactions energy: -231.378
where: short stacking energy: -101.162
Base-Backbone interact. energy: 0.812
local terms energy: -106.777764
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -27.625
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -275.875524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.875524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.875524 (E_RNA)
where:
Base-Base interactions energy: -195.240
where: short stacking energy: -77.440
Base-Backbone interact. energy: 0.565
local terms energy: -81.201366
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -236.612291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.612291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.612291 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -78.919
Base-Backbone interact. energy: 3.039
local terms energy: -83.782190
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -25.429
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -494.385257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.385257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.385257 (E_RNA)
where:
Base-Base interactions energy: -343.591
where: short stacking energy: -156.015
Base-Backbone interact. energy: -0.760
local terms energy: -150.034145
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -465.695100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.695100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.695100 (E_RNA)
where:
Base-Base interactions energy: -324.612
where: short stacking energy: -143.411
Base-Backbone interact. energy: -0.068
local terms energy: -141.015659
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -36.405
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -467.767307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.767307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.767307 (E_RNA)
where:
Base-Base interactions energy: -319.638
where: short stacking energy: -156.263
Base-Backbone interact. energy: -0.014
local terms energy: -148.115502
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -23.060
tors. eta vs tors. theta energy: -45.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -451.807257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.807257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.807257 (E_RNA)
where:
Base-Base interactions energy: -320.898
where: short stacking energy: -144.734
Base-Backbone interact. energy: -0.217
local terms energy: -130.691399
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -40.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -423.548602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.548602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.548602 (E_RNA)
where:
Base-Base interactions energy: -294.299
where: short stacking energy: -124.037
Base-Backbone interact. energy: -0.914
local terms energy: -128.335218
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -391.733284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.733284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.733284 (E_RNA)
where:
Base-Base interactions energy: -274.056
where: short stacking energy: -115.886
Base-Backbone interact. energy: 1.249
local terms energy: -118.926018
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -404.011592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.011592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.011592 (E_RNA)
where:
Base-Base interactions energy: -275.543
where: short stacking energy: -109.918
Base-Backbone interact. energy: -1.045
local terms energy: -127.424190
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -28.273
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -29.184
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: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -335.846467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.846467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.846467 (E_RNA)
where:
Base-Base interactions energy: -229.574
where: short stacking energy: -90.614
Base-Backbone interact. energy: -2.579
local terms energy: -103.694054
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -244.891268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.891268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.891268 (E_RNA)
where:
Base-Base interactions energy: -164.109
where: short stacking energy: -72.433
Base-Backbone interact. energy: 0.080
local terms energy: -80.862429
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -251.138753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.138753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.138753 (E_RNA)
where:
Base-Base interactions energy: -154.959
where: short stacking energy: -76.026
Base-Backbone interact. energy: -1.734
local terms energy: -94.445683
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -496.676378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.676378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.676378 (E_RNA)
where:
Base-Base interactions energy: -346.771
where: short stacking energy: -156.430
Base-Backbone interact. energy: -0.242
local terms energy: -149.663770
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -41.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -479.711117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.711117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.711117 (E_RNA)
where:
Base-Base interactions energy: -337.524
where: short stacking energy: -154.170
Base-Backbone interact. energy: -0.205
local terms energy: -141.982094
where:
bonds (distance) C4'-P energy: -28.621
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -40.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -441.908065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.908065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.908065 (E_RNA)
where:
Base-Base interactions energy: -309.324
where: short stacking energy: -133.981
Base-Backbone interact. energy: -0.256
local terms energy: -132.327553
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -32.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -446.182713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.182713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.182713 (E_RNA)
where:
Base-Base interactions energy: -314.110
where: short stacking energy: -126.385
Base-Backbone interact. energy: -1.039
local terms energy: -131.033643
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -39.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -423.118980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.118980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.118980 (E_RNA)
where:
Base-Base interactions energy: -289.834
where: short stacking energy: -122.926
Base-Backbone interact. energy: -0.986
local terms energy: -132.299614
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -415.786661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.786661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.786661 (E_RNA)
where:
Base-Base interactions energy: -286.378
where: short stacking energy: -119.416
Base-Backbone interact. energy: -1.360
local terms energy: -128.048522
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -29.734
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: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -406.135571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.135571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.135571 (E_RNA)
where:
Base-Base interactions energy: -285.972
where: short stacking energy: -118.109
Base-Backbone interact. energy: -0.458
local terms energy: -119.705154
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -339.815355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.815355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.815355 (E_RNA)
where:
Base-Base interactions energy: -226.575
where: short stacking energy: -102.522
Base-Backbone interact. energy: -0.641
local terms energy: -112.598774
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -256.187420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.187420 (E_RNA)
where:
Base-Base interactions energy: -153.323
where: short stacking energy: -68.661
Base-Backbone interact. energy: -1.482
local terms energy: -101.382117
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -239.816361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.816361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.816361 (E_RNA)
where:
Base-Base interactions energy: -146.634
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.853
local terms energy: -92.329466
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -19.915
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: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -497.722635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.722635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.722635 (E_RNA)
where:
Base-Base interactions energy: -344.977
where: short stacking energy: -162.849
Base-Backbone interact. energy: -0.010
local terms energy: -152.735765
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -43.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -479.660680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.660680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.660680 (E_RNA)
where:
Base-Base interactions energy: -324.452
where: short stacking energy: -135.305
Base-Backbone interact. energy: -1.323
local terms energy: -153.886362
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: -39.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -475.800290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.800290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.800290 (E_RNA)
where:
Base-Base interactions energy: -323.147
where: short stacking energy: -144.229
Base-Backbone interact. energy: -0.032
local terms energy: -152.622250
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -443.601727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.601727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.601727 (E_RNA)
where:
Base-Base interactions energy: -302.173
where: short stacking energy: -129.019
Base-Backbone interact. energy: 1.331
local terms energy: -142.760409
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -39.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -412.272595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.272595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.272595 (E_RNA)
where:
Base-Base interactions energy: -288.940
where: short stacking energy: -136.086
Base-Backbone interact. energy: -0.188
local terms energy: -123.143960
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -31.565
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -34.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -418.067934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.067934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.067934 (E_RNA)
where:
Base-Base interactions energy: -293.050
where: short stacking energy: -124.378
Base-Backbone interact. energy: 1.010
local terms energy: -126.027990
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -36.012
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: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -401.545154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.545154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.545154 (E_RNA)
where:
Base-Base interactions energy: -272.441
where: short stacking energy: -116.549
Base-Backbone interact. energy: -0.200
local terms energy: -128.904256
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -31.404
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: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -331.111665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.111665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.111665 (E_RNA)
where:
Base-Base interactions energy: -232.772
where: short stacking energy: -89.938
Base-Backbone interact. energy: -1.598
local terms energy: -96.741894
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -11.650
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: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -262.384406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.384406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.384406 (E_RNA)
where:
Base-Base interactions energy: -157.577
where: short stacking energy: -73.816
Base-Backbone interact. energy: -0.643
local terms energy: -104.164170
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -22.000
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: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -258.296183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.296183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.296183 (E_RNA)
where:
Base-Base interactions energy: -166.166
where: short stacking energy: -82.053
Base-Backbone interact. energy: -0.742
local terms energy: -91.387576
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -486.528442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.528442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.528442 (E_RNA)
where:
Base-Base interactions energy: -335.708
where: short stacking energy: -160.951
Base-Backbone interact. energy: -1.165
local terms energy: -149.655872
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -44.261
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: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -480.281025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.281025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.281025 (E_RNA)
where:
Base-Base interactions energy: -334.847
where: short stacking energy: -157.244
Base-Backbone interact. energy: -0.297
local terms energy: -145.136761
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -43.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -476.874463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.874463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.874463 (E_RNA)
where:
Base-Base interactions energy: -329.453
where: short stacking energy: -152.845
Base-Backbone interact. energy: -0.496
local terms energy: -146.926109
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -433.424505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.424505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.424505 (E_RNA)
where:
Base-Base interactions energy: -300.730
where: short stacking energy: -139.513
Base-Backbone interact. energy: -0.088
local terms energy: -132.606460
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -35.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -422.158826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.158826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.158826 (E_RNA)
where:
Base-Base interactions energy: -302.327
where: short stacking energy: -129.430
Base-Backbone interact. energy: -0.046
local terms energy: -119.786551
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -30.903
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: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -423.133789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.133789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.133789 (E_RNA)
where:
Base-Base interactions energy: -286.594
where: short stacking energy: -126.979
Base-Backbone interact. energy: 1.323
local terms energy: -137.863302
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -39.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -429.908436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.908436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.908436 (E_RNA)
where:
Base-Base interactions energy: -302.584
where: short stacking energy: -127.108
Base-Backbone interact. energy: -0.590
local terms energy: -126.734545
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -361.355713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.355713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.355713 (E_RNA)
where:
Base-Base interactions energy: -245.674
where: short stacking energy: -100.006
Base-Backbone interact. energy: 2.783
local terms energy: -118.465303
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -17.196
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: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -267.139292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.139292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.139292 (E_RNA)
where:
Base-Base interactions energy: -164.302
where: short stacking energy: -88.135
Base-Backbone interact. energy: -0.133
local terms energy: -102.704881
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -254.343258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.343258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.343258 (E_RNA)
where:
Base-Base interactions energy: -155.107
where: short stacking energy: -73.943
Base-Backbone interact. energy: -1.171
local terms energy: -98.065275
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -483.045249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.045249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.045249 (E_RNA)
where:
Base-Base interactions energy: -334.719
where: short stacking energy: -160.349
Base-Backbone interact. energy: -0.623
local terms energy: -147.702845
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -43.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -489.090297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.090297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.090297 (E_RNA)
where:
Base-Base interactions energy: -333.620
where: short stacking energy: -156.965
Base-Backbone interact. energy: -0.012
local terms energy: -155.458423
where:
bonds (distance) C4'-P energy: -27.729
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -42.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -469.116924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.116924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.116924 (E_RNA)
where:
Base-Base interactions energy: -332.825
where: short stacking energy: -141.776
Base-Backbone interact. energy: -0.497
local terms energy: -135.794645
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -31.286
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -37.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -425.880277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.880277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.880277 (E_RNA)
where:
Base-Base interactions energy: -289.638
where: short stacking energy: -129.185
Base-Backbone interact. energy: -0.502
local terms energy: -135.740188
where:
bonds (distance) C4'-P energy: -27.060
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: -32.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -447.593389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.593389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.593389 (E_RNA)
where:
Base-Base interactions energy: -316.190
where: short stacking energy: -146.781
Base-Backbone interact. energy: -0.011
local terms energy: -131.392473
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -26.415
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -41.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -416.358798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.358798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.358798 (E_RNA)
where:
Base-Base interactions energy: -288.537
where: short stacking energy: -131.917
Base-Backbone interact. energy: -0.237
local terms energy: -127.585031
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -36.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -427.586639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.586639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.586639 (E_RNA)
where:
Base-Base interactions energy: -294.981
where: short stacking energy: -118.757
Base-Backbone interact. energy: -0.779
local terms energy: -131.826859
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -29.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -335.252018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.252018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.252018 (E_RNA)
where:
Base-Base interactions energy: -245.956
where: short stacking energy: -106.723
Base-Backbone interact. energy: -1.066
local terms energy: -88.229915
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -18.860
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: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -273.074323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.074323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.074323 (E_RNA)
where:
Base-Base interactions energy: -162.207
where: short stacking energy: -99.868
Base-Backbone interact. energy: -0.714
local terms energy: -110.153174
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -19.358
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -274.287060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.287060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.287060 (E_RNA)
where:
Base-Base interactions energy: -167.214
where: short stacking energy: -96.983
Base-Backbone interact. energy: 0.356
local terms energy: -107.429176
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -498.677609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.677609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.677609 (E_RNA)
where:
Base-Base interactions energy: -342.325
where: short stacking energy: -157.310
Base-Backbone interact. energy: -0.248
local terms energy: -156.104913
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -43.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -485.791696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.791696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.791696 (E_RNA)
where:
Base-Base interactions energy: -343.582
where: short stacking energy: -158.772
Base-Backbone interact. energy: 0.275
local terms energy: -142.485051
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -37.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -474.229539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.229539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.229539 (E_RNA)
where:
Base-Base interactions energy: -333.811
where: short stacking energy: -154.648
Base-Backbone interact. energy: -1.091
local terms energy: -139.327410
where:
bonds (distance) C4'-P energy: -27.236
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -42.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -439.774619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.774619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.774619 (E_RNA)
where:
Base-Base interactions energy: -303.826
where: short stacking energy: -139.508
Base-Backbone interact. energy: -1.130
local terms energy: -134.818831
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -28.954
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -425.535618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.535618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.535618 (E_RNA)
where:
Base-Base interactions energy: -289.141
where: short stacking energy: -132.868
Base-Backbone interact. energy: -0.291
local terms energy: -136.103736
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -35.638
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: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -413.800196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.800196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.800196 (E_RNA)
where:
Base-Base interactions energy: -299.258
where: short stacking energy: -131.191
Base-Backbone interact. energy: -0.762
local terms energy: -113.780212
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -30.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -410.862621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.862621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.862621 (E_RNA)
where:
Base-Base interactions energy: -291.822
where: short stacking energy: -130.920
Base-Backbone interact. energy: 0.944
local terms energy: -119.984251
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -36.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -309.586699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.586699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.586699 (E_RNA)
where:
Base-Base interactions energy: -195.568
where: short stacking energy: -101.302
Base-Backbone interact. energy: -1.153
local terms energy: -112.865538
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -25.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -334.105642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.105642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.105642 (E_RNA)
where:
Base-Base interactions energy: -222.419
where: short stacking energy: -97.186
Base-Backbone interact. energy: -0.148
local terms energy: -111.537955
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -266.123023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.123023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.123023 (E_RNA)
where:
Base-Base interactions energy: -167.082
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.496
local terms energy: -98.544458
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -483.910871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.910871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.910871 (E_RNA)
where:
Base-Base interactions energy: -339.238
where: short stacking energy: -150.820
Base-Backbone interact. energy: -0.059
local terms energy: -144.614449
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -32.823
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -42.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -482.560126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.560126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.560126 (E_RNA)
where:
Base-Base interactions energy: -332.833
where: short stacking energy: -156.129
Base-Backbone interact. energy: -0.596
local terms energy: -149.131240
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -46.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -451.122388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.122388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.122388 (E_RNA)
where:
Base-Base interactions energy: -310.662
where: short stacking energy: -141.604
Base-Backbone interact. energy: -0.765
local terms energy: -139.694664
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -40.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -469.328911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.328911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.328911 (E_RNA)
where:
Base-Base interactions energy: -335.755
where: short stacking energy: -148.570
Base-Backbone interact. energy: -0.048
local terms energy: -133.526636
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -39.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -435.681264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.681264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.681264 (E_RNA)
where:
Base-Base interactions energy: -308.024
where: short stacking energy: -132.290
Base-Backbone interact. energy: -0.204
local terms energy: -127.453312
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -34.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -415.615620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.615620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.615620 (E_RNA)
where:
Base-Base interactions energy: -281.491
where: short stacking energy: -122.018
Base-Backbone interact. energy: -0.132
local terms energy: -133.993092
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -32.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -412.337860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.337860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.337860 (E_RNA)
where:
Base-Base interactions energy: -289.847
where: short stacking energy: -118.367
Base-Backbone interact. energy: -0.732
local terms energy: -121.759053
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -34.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -291.273502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.273502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.273502 (E_RNA)
where:
Base-Base interactions energy: -195.755
where: short stacking energy: -104.434
Base-Backbone interact. energy: 0.264
local terms energy: -95.782590
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -316.931533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.931533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.931533 (E_RNA)
where:
Base-Base interactions energy: -215.446
where: short stacking energy: -107.825
Base-Backbone interact. energy: -0.539
local terms energy: -100.946214
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -278.602103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.602103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.602103 (E_RNA)
where:
Base-Base interactions energy: -180.151
where: short stacking energy: -78.665
Base-Backbone interact. energy: -1.553
local terms energy: -96.898703
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -15.103
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: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -494.989205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.989205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.989205 (E_RNA)
where:
Base-Base interactions energy: -349.288
where: short stacking energy: -160.323
Base-Backbone interact. energy: -0.695
local terms energy: -145.006105
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -28.468
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -40.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -482.347034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.347034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.347034 (E_RNA)
where:
Base-Base interactions energy: -337.768
where: short stacking energy: -154.231
Base-Backbone interact. energy: -0.233
local terms energy: -144.346064
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -42.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -459.848104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.848104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.848104 (E_RNA)
where:
Base-Base interactions energy: -310.031
where: short stacking energy: -145.500
Base-Backbone interact. energy: -0.993
local terms energy: -148.824510
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -42.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -460.182730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.182730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.182730 (E_RNA)
where:
Base-Base interactions energy: -326.008
where: short stacking energy: -144.601
Base-Backbone interact. energy: -0.214
local terms energy: -133.960898
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -40.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -423.347322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.347322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.347322 (E_RNA)
where:
Base-Base interactions energy: -293.340
where: short stacking energy: -128.541
Base-Backbone interact. energy: -0.364
local terms energy: -129.643059
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -32.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -420.902226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.902226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.902226 (E_RNA)
where:
Base-Base interactions energy: -289.885
where: short stacking energy: -123.863
Base-Backbone interact. energy: -1.456
local terms energy: -129.562058
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -27.783
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -34.278
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: 387
Temperature: 1.200000
Total energy: -406.833694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.833694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.833694 (E_RNA)
where:
Base-Base interactions energy: -279.364
where: short stacking energy: -129.859
Base-Backbone interact. energy: -0.303
local terms energy: -127.167051
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -35.832
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: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -315.981978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.981978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.981978 (E_RNA)
where:
Base-Base interactions energy: -217.006
where: short stacking energy: -112.222
Base-Backbone interact. energy: 1.821
local terms energy: -100.797259
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -26.279
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: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -303.846760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.846760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.846760 (E_RNA)
where:
Base-Base interactions energy: -204.293
where: short stacking energy: -92.397
Base-Backbone interact. energy: -0.517
local terms energy: -99.037253
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -248.284759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.284759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.284759 (E_RNA)
where:
Base-Base interactions energy: -159.233
where: short stacking energy: -68.878
Base-Backbone interact. energy: 2.246
local terms energy: -91.298111
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -494.853055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.853055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.853055 (E_RNA)
where:
Base-Base interactions energy: -342.383
where: short stacking energy: -153.892
Base-Backbone interact. energy: -0.651
local terms energy: -151.819364
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -43.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -478.359509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.359509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.359509 (E_RNA)
where:
Base-Base interactions energy: -335.033
where: short stacking energy: -157.485
Base-Backbone interact. energy: -0.588
local terms energy: -142.738346
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -43.136
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: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -460.758088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.758088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.758088 (E_RNA)
where:
Base-Base interactions energy: -325.112
where: short stacking energy: -144.009
Base-Backbone interact. energy: -0.648
local terms energy: -134.998604
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -442.965112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.965112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.965112 (E_RNA)
where:
Base-Base interactions energy: -297.469
where: short stacking energy: -140.279
Base-Backbone interact. energy: -0.112
local terms energy: -145.384254
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -39.774
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: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -425.359132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.359132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.359132 (E_RNA)
where:
Base-Base interactions energy: -296.525
where: short stacking energy: -132.573
Base-Backbone interact. energy: -0.619
local terms energy: -128.215413
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -36.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -426.429765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.429765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.429765 (E_RNA)
where:
Base-Base interactions energy: -303.146
where: short stacking energy: -129.534
Base-Backbone interact. energy: -0.508
local terms energy: -122.775287
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -35.292
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: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -411.568689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.568689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.568689 (E_RNA)
where:
Base-Base interactions energy: -275.853
where: short stacking energy: -115.532
Base-Backbone interact. energy: -0.284
local terms energy: -135.431547
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -36.053
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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -321.865520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.865520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.865520 (E_RNA)
where:
Base-Base interactions energy: -206.695
where: short stacking energy: -107.070
Base-Backbone interact. energy: 1.167
local terms energy: -116.337135
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -286.414475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.414475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.414475 (E_RNA)
where:
Base-Base interactions energy: -182.054
where: short stacking energy: -87.944
Base-Backbone interact. energy: -0.350
local terms energy: -104.010282
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -277.659145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.659145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.659145 (E_RNA)
where:
Base-Base interactions energy: -181.820
where: short stacking energy: -74.792
Base-Backbone interact. energy: 0.726
local terms energy: -96.565181
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -14.168
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: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -489.837858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.837858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.837858 (E_RNA)
where:
Base-Base interactions energy: -341.220
where: short stacking energy: -167.406
Base-Backbone interact. energy: -0.119
local terms energy: -148.498614
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -29.907
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -484.324209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.324209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.324209 (E_RNA)
where:
Base-Base interactions energy: -332.723
where: short stacking energy: -171.098
Base-Backbone interact. energy: -0.177
local terms energy: -151.424448
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -44.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -470.022363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.022363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.022363 (E_RNA)
where:
Base-Base interactions energy: -327.933
where: short stacking energy: -153.112
Base-Backbone interact. energy: -0.290
local terms energy: -141.799029
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -430.166215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.166215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.166215 (E_RNA)
where:
Base-Base interactions energy: -297.090
where: short stacking energy: -127.972
Base-Backbone interact. energy: -0.564
local terms energy: -132.511962
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -26.391
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -36.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -424.152456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.152456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.152456 (E_RNA)
where:
Base-Base interactions energy: -293.338
where: short stacking energy: -134.001
Base-Backbone interact. energy: 1.167
local terms energy: -131.981417
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -38.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -419.085180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.085180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.085180 (E_RNA)
where:
Base-Base interactions energy: -298.039
where: short stacking energy: -121.627
Base-Backbone interact. energy: -1.853
local terms energy: -119.193293
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -26.217
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -39.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -405.513625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.513625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.513625 (E_RNA)
where:
Base-Base interactions energy: -280.003
where: short stacking energy: -113.906
Base-Backbone interact. energy: -0.600
local terms energy: -124.910636
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -29.441
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -33.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -313.683034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.683034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.683034 (E_RNA)
where:
Base-Base interactions energy: -212.749
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.127
local terms energy: -100.807682
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -281.434920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.434920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.434920 (E_RNA)
where:
Base-Base interactions energy: -185.806
where: short stacking energy: -86.162
Base-Backbone interact. energy: -0.456
local terms energy: -95.172700
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -18.647
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: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -271.870141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.870141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.870141 (E_RNA)
where:
Base-Base interactions energy: -166.191
where: short stacking energy: -77.711
Base-Backbone interact. energy: -1.194
local terms energy: -104.485637
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -480.001820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.001820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.001820 (E_RNA)
where:
Base-Base interactions energy: -336.864
where: short stacking energy: -156.622
Base-Backbone interact. energy: -0.163
local terms energy: -142.975605
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -43.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -479.161891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.161891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.161891 (E_RNA)
where:
Base-Base interactions energy: -347.151
where: short stacking energy: -157.900
Base-Backbone interact. energy: -0.869
local terms energy: -131.142574
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -27.038
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -484.433138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.433138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.433138 (E_RNA)
where:
Base-Base interactions energy: -338.492
where: short stacking energy: -157.373
Base-Backbone interact. energy: -0.034
local terms energy: -145.907651
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -440.358163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.358163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.358163 (E_RNA)
where:
Base-Base interactions energy: -308.059
where: short stacking energy: -145.323
Base-Backbone interact. energy: 0.478
local terms energy: -132.777401
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -38.277
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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -431.148792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.148792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.148792 (E_RNA)
where:
Base-Base interactions energy: -302.729
where: short stacking energy: -121.439
Base-Backbone interact. energy: -1.204
local terms energy: -127.215916
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -32.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -419.954449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.954449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.954449 (E_RNA)
where:
Base-Base interactions energy: -289.738
where: short stacking energy: -134.347
Base-Backbone interact. energy: -0.918
local terms energy: -129.297797
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -28.880
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -34.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -403.369076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.369076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.369076 (E_RNA)
where:
Base-Base interactions energy: -288.422
where: short stacking energy: -116.454
Base-Backbone interact. energy: 1.722
local terms energy: -116.668500
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -29.382
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -318.226209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.226209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.226209 (E_RNA)
where:
Base-Base interactions energy: -222.247
where: short stacking energy: -97.943
Base-Backbone interact. energy: -0.291
local terms energy: -95.688861
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -27.193
flat angles P-C4'-P energy: -10.542
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: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -271.461754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.461754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.461754 (E_RNA)
where:
Base-Base interactions energy: -170.020
where: short stacking energy: -100.314
Base-Backbone interact. energy: -0.253
local terms energy: -101.189580
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -278.536704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.536704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.536704 (E_RNA)
where:
Base-Base interactions energy: -191.060
where: short stacking energy: -99.801
Base-Backbone interact. energy: -0.114
local terms energy: -87.362375
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -16.305
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: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -492.275928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.275928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.275928 (E_RNA)
where:
Base-Base interactions energy: -331.560
where: short stacking energy: -156.650
Base-Backbone interact. energy: -0.493
local terms energy: -160.223782
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -27.580
tors. eta vs tors. theta energy: -47.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -488.415486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.415486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.415486 (E_RNA)
where:
Base-Base interactions energy: -345.493
where: short stacking energy: -146.436
Base-Backbone interact. energy: -0.730
local terms energy: -142.192660
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -44.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -473.916359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.916359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.916359 (E_RNA)
where:
Base-Base interactions energy: -338.646
where: short stacking energy: -153.984
Base-Backbone interact. energy: -0.672
local terms energy: -134.598375
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -40.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -434.315971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.315971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.315971 (E_RNA)
where:
Base-Base interactions energy: -290.023
where: short stacking energy: -126.966
Base-Backbone interact. energy: -0.575
local terms energy: -143.717888
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -428.101618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.101618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.101618 (E_RNA)
where:
Base-Base interactions energy: -294.957
where: short stacking energy: -122.132
Base-Backbone interact. energy: -0.418
local terms energy: -132.726993
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -27.954
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -36.488
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: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -414.524442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.524442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.524442 (E_RNA)
where:
Base-Base interactions energy: -278.568
where: short stacking energy: -127.232
Base-Backbone interact. energy: -1.488
local terms energy: -134.468627
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -377.087961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.087961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.087961 (E_RNA)
where:
Base-Base interactions energy: -265.145
where: short stacking energy: -116.212
Base-Backbone interact. energy: -0.370
local terms energy: -111.572748
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -320.010068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.010068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.010068 (E_RNA)
where:
Base-Base interactions energy: -215.835
where: short stacking energy: -105.056
Base-Backbone interact. energy: 0.283
local terms energy: -104.458904
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -23.271
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: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -272.679545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.679545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.679545 (E_RNA)
where:
Base-Base interactions energy: -157.946
where: short stacking energy: -88.283
Base-Backbone interact. energy: -0.007
local terms energy: -114.727173
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -257.524184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.524184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.524184 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.676
local terms energy: -96.051557
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -490.553726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.553726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.553726 (E_RNA)
where:
Base-Base interactions energy: -337.276
where: short stacking energy: -138.126
Base-Backbone interact. energy: -0.542
local terms energy: -152.735621
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -28.230
tors. eta vs tors. theta energy: -40.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -480.360867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.360867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.360867 (E_RNA)
where:
Base-Base interactions energy: -331.133
where: short stacking energy: -157.039
Base-Backbone interact. energy: -1.592
local terms energy: -147.636137
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -44.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -464.791435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.791435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.791435 (E_RNA)
where:
Base-Base interactions energy: -317.706
where: short stacking energy: -151.104
Base-Backbone interact. energy: -1.120
local terms energy: -145.965560
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -30.904
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: -38.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -440.731505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.731505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.731505 (E_RNA)
where:
Base-Base interactions energy: -302.874
where: short stacking energy: -130.541
Base-Backbone interact. energy: -0.787
local terms energy: -137.070511
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -430.018858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.018858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.018858 (E_RNA)
where:
Base-Base interactions energy: -300.678
where: short stacking energy: -132.409
Base-Backbone interact. energy: -0.298
local terms energy: -129.042941
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -30.491
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: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -430.306966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.306966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.306966 (E_RNA)
where:
Base-Base interactions energy: -313.171
where: short stacking energy: -130.722
Base-Backbone interact. energy: -0.425
local terms energy: -116.710818
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -420.331026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.331026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.331026 (E_RNA)
where:
Base-Base interactions energy: -292.296
where: short stacking energy: -127.794
Base-Backbone interact. energy: -0.990
local terms energy: -127.044628
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -33.321
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: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -309.384152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.384152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.384152 (E_RNA)
where:
Base-Base interactions energy: -218.703
where: short stacking energy: -97.851
Base-Backbone interact. energy: -0.508
local terms energy: -90.173097
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -276.386916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.386916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.386916 (E_RNA)
where:
Base-Base interactions energy: -173.158
where: short stacking energy: -85.737
Base-Backbone interact. energy: -1.220
local terms energy: -102.008454
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -232.117229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.117229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.117229 (E_RNA)
where:
Base-Base interactions energy: -136.877
where: short stacking energy: -65.910
Base-Backbone interact. energy: 0.838
local terms energy: -96.077631
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -3.470
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: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -493.577856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.577856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.577856 (E_RNA)
where:
Base-Base interactions energy: -350.691
where: short stacking energy: -161.084
Base-Backbone interact. energy: -0.641
local terms energy: -142.246611
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -39.900
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: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -478.458567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.458567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.458567 (E_RNA)
where:
Base-Base interactions energy: -327.523
where: short stacking energy: -157.237
Base-Backbone interact. energy: -0.708
local terms energy: -150.227970
where:
bonds (distance) C4'-P energy: -30.006
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -485.719069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.719069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.719069 (E_RNA)
where:
Base-Base interactions energy: -348.966
where: short stacking energy: -160.834
Base-Backbone interact. energy: -0.192
local terms energy: -136.561145
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -41.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -436.798251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.798251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.798251 (E_RNA)
where:
Base-Base interactions energy: -296.827
where: short stacking energy: -132.001
Base-Backbone interact. energy: -0.206
local terms energy: -139.765215
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -34.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -450.221417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.221417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.221417 (E_RNA)
where:
Base-Base interactions energy: -325.997
where: short stacking energy: -131.073
Base-Backbone interact. energy: -0.248
local terms energy: -123.976849
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -40.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -421.386375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.386375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.386375 (E_RNA)
where:
Base-Base interactions energy: -301.915
where: short stacking energy: -125.757
Base-Backbone interact. energy: -0.479
local terms energy: -118.991789
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -25.274
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -32.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -417.389720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.389720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.389720 (E_RNA)
where:
Base-Base interactions energy: -301.517
where: short stacking energy: -131.224
Base-Backbone interact. energy: -0.645
local terms energy: -115.227795
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -36.708
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -280.515360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.515360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.515360 (E_RNA)
where:
Base-Base interactions energy: -179.760
where: short stacking energy: -91.388
Base-Backbone interact. energy: 0.730
local terms energy: -101.484775
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -17.410
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: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -265.911111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.911111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.911111 (E_RNA)
where:
Base-Base interactions energy: -169.623
where: short stacking energy: -81.368
Base-Backbone interact. energy: -0.483
local terms energy: -95.805306
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -242.578992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.578992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.578992 (E_RNA)
where:
Base-Base interactions energy: -143.676
where: short stacking energy: -72.675
Base-Backbone interact. energy: -2.012
local terms energy: -96.891243
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -487.184302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.184302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.184302 (E_RNA)
where:
Base-Base interactions energy: -338.144
where: short stacking energy: -154.903
Base-Backbone interact. energy: -0.553
local terms energy: -148.487222
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -43.169
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: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -484.344832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.344832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.344832 (E_RNA)
where:
Base-Base interactions energy: -346.695
where: short stacking energy: -162.676
Base-Backbone interact. energy: -0.989
local terms energy: -136.660505
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -42.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -474.751891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.751891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.751891 (E_RNA)
where:
Base-Base interactions energy: -335.539
where: short stacking energy: -154.572
Base-Backbone interact. energy: -0.006
local terms energy: -139.206985
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -40.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -431.769992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.769992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.769992 (E_RNA)
where:
Base-Base interactions energy: -298.567
where: short stacking energy: -135.061
Base-Backbone interact. energy: -0.313
local terms energy: -132.890545
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -26.989
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -33.946
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: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -439.165854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.165854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.165854 (E_RNA)
where:
Base-Base interactions energy: -301.820
where: short stacking energy: -139.698
Base-Backbone interact. energy: -0.157
local terms energy: -137.188920
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -33.128
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: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -440.888032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.888032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.888032 (E_RNA)
where:
Base-Base interactions energy: -315.236
where: short stacking energy: -137.769
Base-Backbone interact. energy: -0.359
local terms energy: -125.293040
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -35.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -400.747878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.747878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.747878 (E_RNA)
where:
Base-Base interactions energy: -265.361
where: short stacking energy: -112.905
Base-Backbone interact. energy: 0.044
local terms energy: -135.431651
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -34.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -277.627994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.627994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.627994 (E_RNA)
where:
Base-Base interactions energy: -176.655
where: short stacking energy: -82.676
Base-Backbone interact. energy: 0.353
local terms energy: -101.325605
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -283.738715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.738715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.738715 (E_RNA)
where:
Base-Base interactions energy: -178.375
where: short stacking energy: -95.337
Base-Backbone interact. energy: 1.320
local terms energy: -106.683338
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -268.645823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.645823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.645823 (E_RNA)
where:
Base-Base interactions energy: -164.072
where: short stacking energy: -82.539
Base-Backbone interact. energy: 0.195
local terms energy: -104.768931
where:
bonds (distance) C4'-P energy: -25.947
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -474.692757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.692757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.692757 (E_RNA)
where:
Base-Base interactions energy: -322.679
where: short stacking energy: -148.056
Base-Backbone interact. energy: -0.135
local terms energy: -151.879229
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -43.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -484.230404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.230404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.230404 (E_RNA)
where:
Base-Base interactions energy: -344.447
where: short stacking energy: -156.308
Base-Backbone interact. energy: -2.145
local terms energy: -137.637904
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -40.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -487.232319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.232319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.232319 (E_RNA)
where:
Base-Base interactions energy: -334.432
where: short stacking energy: -146.372
Base-Backbone interact. energy: -0.285
local terms energy: -152.515349
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -41.965
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: 395
Temperature: 1.050000
Total energy: -453.229113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.229113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.229113 (E_RNA)
where:
Base-Base interactions energy: -320.809
where: short stacking energy: -145.192
Base-Backbone interact. energy: -0.532
local terms energy: -131.887916
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -35.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -427.646123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.646123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.646123 (E_RNA)
where:
Base-Base interactions energy: -297.186
where: short stacking energy: -144.072
Base-Backbone interact. energy: -0.422
local terms energy: -130.037726
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -35.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -447.857521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.857521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.857521 (E_RNA)
where:
Base-Base interactions energy: -310.017
where: short stacking energy: -142.277
Base-Backbone interact. energy: -0.884
local terms energy: -136.956663
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -39.441
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: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -426.160044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.160044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.160044 (E_RNA)
where:
Base-Base interactions energy: -290.099
where: short stacking energy: -126.061
Base-Backbone interact. energy: -0.873
local terms energy: -135.188004
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -39.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -278.580253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.580253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.580253 (E_RNA)
where:
Base-Base interactions energy: -170.344
where: short stacking energy: -78.641
Base-Backbone interact. energy: 0.239
local terms energy: -108.474970
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -263.272118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.272118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.272118 (E_RNA)
where:
Base-Base interactions energy: -172.623
where: short stacking energy: -94.877
Base-Backbone interact. energy: -0.267
local terms energy: -90.382859
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -19.875
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: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -249.946411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.946411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.946411 (E_RNA)
where:
Base-Base interactions energy: -150.037
where: short stacking energy: -76.210
Base-Backbone interact. energy: -0.131
local terms energy: -99.778642
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -26.941
flat angles P-C4'-P energy: -9.904
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: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -485.894435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.894435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.894435 (E_RNA)
where:
Base-Base interactions energy: -338.299
where: short stacking energy: -151.600
Base-Backbone interact. energy: -0.448
local terms energy: -147.147601
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -38.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -474.811742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.811742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.811742 (E_RNA)
where:
Base-Base interactions energy: -323.884
where: short stacking energy: -152.565
Base-Backbone interact. energy: -1.649
local terms energy: -149.279060
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -44.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -471.167900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.167900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.167900 (E_RNA)
where:
Base-Base interactions energy: -335.016
where: short stacking energy: -143.619
Base-Backbone interact. energy: -0.005
local terms energy: -136.146488
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -27.695
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -38.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -458.946773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.946773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.946773 (E_RNA)
where:
Base-Base interactions energy: -320.050
where: short stacking energy: -140.518
Base-Backbone interact. energy: -0.963
local terms energy: -137.933350
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -40.277
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: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -430.660410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.660410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.660410 (E_RNA)
where:
Base-Base interactions energy: -297.841
where: short stacking energy: -119.791
Base-Backbone interact. energy: -0.234
local terms energy: -132.585094
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -33.968
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: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -449.545655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.545655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.545655 (E_RNA)
where:
Base-Base interactions energy: -305.501
where: short stacking energy: -135.711
Base-Backbone interact. energy: -2.195
local terms energy: -141.849934
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -38.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -405.637167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.637167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.637167 (E_RNA)
where:
Base-Base interactions energy: -291.163
where: short stacking energy: -126.830
Base-Backbone interact. energy: 1.165
local terms energy: -115.639582
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -32.083
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: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -298.859313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.859313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.859313 (E_RNA)
where:
Base-Base interactions energy: -185.267
where: short stacking energy: -98.980
Base-Backbone interact. energy: 0.212
local terms energy: -113.803600
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -231.622992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.622992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.622992 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -73.055
Base-Backbone interact. energy: 0.842
local terms energy: -87.532563
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -8.862
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: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -245.795566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.795566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.795566 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.268
local terms energy: -100.394132
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -484.504694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.504694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.504694 (E_RNA)
where:
Base-Base interactions energy: -352.486
where: short stacking energy: -156.310
Base-Backbone interact. energy: -0.161
local terms energy: -131.857359
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -40.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -477.635981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.635981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.635981 (E_RNA)
where:
Base-Base interactions energy: -339.381
where: short stacking energy: -151.800
Base-Backbone interact. energy: 0.970
local terms energy: -139.224473
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -40.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -470.925835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.925835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.925835 (E_RNA)
where:
Base-Base interactions energy: -320.639
where: short stacking energy: -155.085
Base-Backbone interact. energy: -0.021
local terms energy: -150.265114
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -43.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -460.359884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.359884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.359884 (E_RNA)
where:
Base-Base interactions energy: -320.850
where: short stacking energy: -143.057
Base-Backbone interact. energy: -0.619
local terms energy: -138.890548
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -39.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -440.054561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.054561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.054561 (E_RNA)
where:
Base-Base interactions energy: -303.227
where: short stacking energy: -140.444
Base-Backbone interact. energy: -0.802
local terms energy: -136.024832
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -36.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -418.345612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.345612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.345612 (E_RNA)
where:
Base-Base interactions energy: -286.874
where: short stacking energy: -137.671
Base-Backbone interact. energy: 0.533
local terms energy: -132.004287
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -39.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -341.337376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.337376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.337376 (E_RNA)
where:
Base-Base interactions energy: -225.031
where: short stacking energy: -104.116
Base-Backbone interact. energy: -0.633
local terms energy: -115.673457
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -24.154
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: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -276.867544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.867544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.867544 (E_RNA)
where:
Base-Base interactions energy: -166.911
where: short stacking energy: -87.789
Base-Backbone interact. energy: 0.119
local terms energy: -110.075413
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -262.208301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.208301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.208301 (E_RNA)
where:
Base-Base interactions energy: -173.718
where: short stacking energy: -77.680
Base-Backbone interact. energy: -0.462
local terms energy: -88.028794
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -13.789
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: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -266.305876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.305876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.305876 (E_RNA)
where:
Base-Base interactions energy: -171.266
where: short stacking energy: -89.133
Base-Backbone interact. energy: -0.634
local terms energy: -94.406074
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -20.929
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -488.444534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.444534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.444534 (E_RNA)
where:
Base-Base interactions energy: -345.511
where: short stacking energy: -157.870
Base-Backbone interact. energy: -0.008
local terms energy: -142.925811
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -39.271
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: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -474.797942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.797942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.797942 (E_RNA)
where:
Base-Base interactions energy: -339.749
where: short stacking energy: -153.065
Base-Backbone interact. energy: 0.275
local terms energy: -135.323492
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -32.811
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -32.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -471.384957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.384957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.384957 (E_RNA)
where:
Base-Base interactions energy: -329.517
where: short stacking energy: -146.133
Base-Backbone interact. energy: -0.964
local terms energy: -140.903941
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -40.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -471.693263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.693263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.693263 (E_RNA)
where:
Base-Base interactions energy: -321.257
where: short stacking energy: -149.790
Base-Backbone interact. energy: -0.325
local terms energy: -150.110475
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -43.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -441.476892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.476892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.476892 (E_RNA)
where:
Base-Base interactions energy: -319.844
where: short stacking energy: -146.351
Base-Backbone interact. energy: 1.549
local terms energy: -123.181992
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -36.176
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: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -437.892169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.892169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.892169 (E_RNA)
where:
Base-Base interactions energy: -306.011
where: short stacking energy: -138.435
Base-Backbone interact. energy: -1.252
local terms energy: -130.629583
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -37.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -407.133626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.133626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.133626 (E_RNA)
where:
Base-Base interactions energy: -284.069
where: short stacking energy: -113.461
Base-Backbone interact. energy: -0.990
local terms energy: -122.075390
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -31.848
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: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -274.156538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.156538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.156538 (E_RNA)
where:
Base-Base interactions energy: -165.453
where: short stacking energy: -89.704
Base-Backbone interact. energy: -0.640
local terms energy: -108.062821
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -24.037
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -280.352825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.352825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.352825 (E_RNA)
where:
Base-Base interactions energy: -174.071
where: short stacking energy: -95.370
Base-Backbone interact. energy: -0.943
local terms energy: -105.338546
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -22.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -266.136018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.136018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.136018 (E_RNA)
where:
Base-Base interactions energy: -165.516
where: short stacking energy: -83.678
Base-Backbone interact. energy: -0.435
local terms energy: -100.185427
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -12.627
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -489.293613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.293613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.293613 (E_RNA)
where:
Base-Base interactions energy: -344.694
where: short stacking energy: -146.672
Base-Backbone interact. energy: -0.869
local terms energy: -143.730767
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -39.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -477.102291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.102291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.102291 (E_RNA)
where:
Base-Base interactions energy: -339.212
where: short stacking energy: -136.770
Base-Backbone interact. energy: -0.092
local terms energy: -137.798718
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -39.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -472.981232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.981232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.981232 (E_RNA)
where:
Base-Base interactions energy: -333.207
where: short stacking energy: -158.032
Base-Backbone interact. energy: -0.420
local terms energy: -139.354641
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -20.893
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -455.619788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.619788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.619788 (E_RNA)
where:
Base-Base interactions energy: -312.734
where: short stacking energy: -139.401
Base-Backbone interact. energy: -0.867
local terms energy: -142.018605
where:
bonds (distance) C4'-P energy: -27.050
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -38.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -430.654886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.654886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.654886 (E_RNA)
where:
Base-Base interactions energy: -306.630
where: short stacking energy: -145.529
Base-Backbone interact. energy: -0.025
local terms energy: -123.999109
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -37.887
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: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -428.163238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.163238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.163238 (E_RNA)
where:
Base-Base interactions energy: -297.497
where: short stacking energy: -124.572
Base-Backbone interact. energy: -1.627
local terms energy: -129.039487
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -30.059
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: 399
Temperature: 1.200000
Total energy: -418.153410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.153410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.153410 (E_RNA)
where:
Base-Base interactions energy: -290.131
where: short stacking energy: -124.363
Base-Backbone interact. energy: -0.496
local terms energy: -127.526286
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -288.609055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.609055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.609055 (E_RNA)
where:
Base-Base interactions energy: -180.344
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.513
local terms energy: -107.752251
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -293.187155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.187155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.187155 (E_RNA)
where:
Base-Base interactions energy: -197.841
where: short stacking energy: -99.257
Base-Backbone interact. energy: -0.481
local terms energy: -94.865194
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -14.544
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: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -262.312031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.312031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.312031 (E_RNA)
where:
Base-Base interactions energy: -170.685
where: short stacking energy: -85.629
Base-Backbone interact. energy: -0.148
local terms energy: -91.479128
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -10.807
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: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -482.606984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.606984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.606984 (E_RNA)
where:
Base-Base interactions energy: -335.814
where: short stacking energy: -154.668
Base-Backbone interact. energy: -0.045
local terms energy: -146.748060
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -30.145
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -41.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -487.301863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.301863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.301863 (E_RNA)
where:
Base-Base interactions energy: -340.019
where: short stacking energy: -151.314
Base-Backbone interact. energy: -0.403
local terms energy: -146.879651
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -28.917
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -39.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -463.614945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.614945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.614945 (E_RNA)
where:
Base-Base interactions energy: -329.796
where: short stacking energy: -148.580
Base-Backbone interact. energy: 0.248
local terms energy: -134.066801
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -39.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -435.741079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.741079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.741079 (E_RNA)
where:
Base-Base interactions energy: -305.961
where: short stacking energy: -139.912
Base-Backbone interact. energy: -0.784
local terms energy: -128.996084
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -30.856
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -36.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -439.147221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.147221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.147221 (E_RNA)
where:
Base-Base interactions energy: -310.132
where: short stacking energy: -143.553
Base-Backbone interact. energy: -0.173
local terms energy: -128.841917
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -34.204
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: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -438.274025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.274025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.274025 (E_RNA)
where:
Base-Base interactions energy: -301.502
where: short stacking energy: -126.997
Base-Backbone interact. energy: -1.139
local terms energy: -135.632782
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -35.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -416.209232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.209232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.209232 (E_RNA)
where:
Base-Base interactions energy: -286.792
where: short stacking energy: -130.319
Base-Backbone interact. energy: -0.310
local terms energy: -129.106934
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -267.057854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.057854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.057854 (E_RNA)
where:
Base-Base interactions energy: -168.128
where: short stacking energy: -81.243
Base-Backbone interact. energy: 0.499
local terms energy: -99.429237
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -16.979
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -274.689286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.689286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.689286 (E_RNA)
where:
Base-Base interactions energy: -178.679
where: short stacking energy: -80.846
Base-Backbone interact. energy: -0.371
local terms energy: -95.640263
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -296.670147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.670147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.670147 (E_RNA)
where:
Base-Base interactions energy: -195.914
where: short stacking energy: -89.268
Base-Backbone interact. energy: -0.178
local terms energy: -100.578130
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -8.587
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: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -482.836422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.836422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.836422 (E_RNA)
where:
Base-Base interactions energy: -338.890
where: short stacking energy: -156.993
Base-Backbone interact. energy: -0.004
local terms energy: -143.942369
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -41.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -481.653964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.653964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.653964 (E_RNA)
where:
Base-Base interactions energy: -344.775
where: short stacking energy: -152.127
Base-Backbone interact. energy: -0.166
local terms energy: -136.712543
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -40.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -475.142221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.142221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.142221 (E_RNA)
where:
Base-Base interactions energy: -335.357
where: short stacking energy: -157.571
Base-Backbone interact. energy: -0.533
local terms energy: -139.251871
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -40.161
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: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -459.437576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.437576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.437576 (E_RNA)
where:
Base-Base interactions energy: -321.612
where: short stacking energy: -152.047
Base-Backbone interact. energy: -0.550
local terms energy: -137.275552
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -42.138
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: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -442.577055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.577055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.577055 (E_RNA)
where:
Base-Base interactions energy: -308.746
where: short stacking energy: -138.676
Base-Backbone interact. energy: -1.090
local terms energy: -132.740273
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -39.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -428.318670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.318670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.318670 (E_RNA)
where:
Base-Base interactions energy: -288.133
where: short stacking energy: -131.215
Base-Backbone interact. energy: -0.351
local terms energy: -139.834122
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -36.331
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: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -415.604814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.604814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.604814 (E_RNA)
where:
Base-Base interactions energy: -288.537
where: short stacking energy: -139.772
Base-Backbone interact. energy: 1.641
local terms energy: -128.708026
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -35.305
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: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -289.375745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.375745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.375745 (E_RNA)
where:
Base-Base interactions energy: -193.330
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.255
local terms energy: -95.790900
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -273.404690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.404690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.404690 (E_RNA)
where:
Base-Base interactions energy: -173.706
where: short stacking energy: -85.610
Base-Backbone interact. energy: -0.811
local terms energy: -98.887567
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -300.573451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.573451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.573451 (E_RNA)
where:
Base-Base interactions energy: -210.349
where: short stacking energy: -103.059
Base-Backbone interact. energy: -0.075
local terms energy: -90.149771
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -21.630
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: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -491.484780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.484780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.484780 (E_RNA)
where:
Base-Base interactions energy: -340.083
where: short stacking energy: -159.768
Base-Backbone interact. energy: -0.213
local terms energy: -151.188832
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -43.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -489.006936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.006936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.006936 (E_RNA)
where:
Base-Base interactions energy: -348.827
where: short stacking energy: -149.835
Base-Backbone interact. energy: -0.736
local terms energy: -139.444087
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -30.767
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -38.335
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: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -469.219014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.219014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.219014 (E_RNA)
where:
Base-Base interactions energy: -314.506
where: short stacking energy: -144.451
Base-Backbone interact. energy: -0.001
local terms energy: -154.711330
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -472.175055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.175055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.175055 (E_RNA)
where:
Base-Base interactions energy: -329.848
where: short stacking energy: -147.582
Base-Backbone interact. energy: 1.266
local terms energy: -143.592156
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -427.257688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.257688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.257688 (E_RNA)
where:
Base-Base interactions energy: -302.211
where: short stacking energy: -133.906
Base-Backbone interact. energy: 0.090
local terms energy: -125.136735
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -27.401
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -30.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -435.520196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.520196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.520196 (E_RNA)
where:
Base-Base interactions energy: -303.686
where: short stacking energy: -128.109
Base-Backbone interact. energy: -0.421
local terms energy: -131.413484
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -28.709
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -34.204
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: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -407.047800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.047800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.047800 (E_RNA)
where:
Base-Base interactions energy: -279.953
where: short stacking energy: -127.475
Base-Backbone interact. energy: -0.160
local terms energy: -126.935391
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -30.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -263.366394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.366394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.366394 (E_RNA)
where:
Base-Base interactions energy: -167.993
where: short stacking energy: -83.136
Base-Backbone interact. energy: -0.091
local terms energy: -95.281876
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -6.243
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: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -336.851601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.851601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.851601 (E_RNA)
where:
Base-Base interactions energy: -223.415
where: short stacking energy: -113.251
Base-Backbone interact. energy: -1.946
local terms energy: -111.491499
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -28.822
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: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -289.764896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.764896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.764896 (E_RNA)
where:
Base-Base interactions energy: -195.509
where: short stacking energy: -94.139
Base-Backbone interact. energy: 2.285
local terms energy: -96.540777
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -497.588849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.588849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.588849 (E_RNA)
where:
Base-Base interactions energy: -350.877
where: short stacking energy: -155.661
Base-Backbone interact. energy: -0.855
local terms energy: -145.855912
where:
bonds (distance) C4'-P energy: -29.759
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -29.087
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -470.313157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.313157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.313157 (E_RNA)
where:
Base-Base interactions energy: -321.390
where: short stacking energy: -147.046
Base-Backbone interact. energy: -1.072
local terms energy: -147.851602
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -28.903
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -43.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -468.705003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.705003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.705003 (E_RNA)
where:
Base-Base interactions energy: -331.886
where: short stacking energy: -150.136
Base-Backbone interact. energy: -0.628
local terms energy: -136.190597
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -41.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -441.088118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.088118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.088118 (E_RNA)
where:
Base-Base interactions energy: -314.428
where: short stacking energy: -138.845
Base-Backbone interact. energy: -0.199
local terms energy: -126.460719
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -30.147
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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -441.949626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.949626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.949626 (E_RNA)
where:
Base-Base interactions energy: -308.760
where: short stacking energy: -144.847
Base-Backbone interact. energy: -0.003
local terms energy: -133.187119
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -38.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -437.953233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.953233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.953233 (E_RNA)
where:
Base-Base interactions energy: -319.129
where: short stacking energy: -136.770
Base-Backbone interact. energy: -0.053
local terms energy: -118.771527
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -37.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -427.634536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.634536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.634536 (E_RNA)
where:
Base-Base interactions energy: -310.300
where: short stacking energy: -128.003
Base-Backbone interact. energy: 0.861
local terms energy: -118.196012
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -33.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -312.929871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.929871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.929871 (E_RNA)
where:
Base-Base interactions energy: -199.310
where: short stacking energy: -102.415
Base-Backbone interact. energy: -1.036
local terms energy: -112.584317
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -27.629
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: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -282.732283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.732283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.732283 (E_RNA)
where:
Base-Base interactions energy: -174.128
where: short stacking energy: -102.094
Base-Backbone interact. energy: -0.167
local terms energy: -108.437291
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -21.753
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: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -269.032976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.032976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.032976 (E_RNA)
where:
Base-Base interactions energy: -166.137
where: short stacking energy: -91.174
Base-Backbone interact. energy: -0.427
local terms energy: -102.468306
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -488.680949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.680949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.680949 (E_RNA)
where:
Base-Base interactions energy: -339.381
where: short stacking energy: -153.297
Base-Backbone interact. energy: -0.339
local terms energy: -148.960562
where:
bonds (distance) C4'-P energy: -30.250
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -41.753
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: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -474.952161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.952161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.952161 (E_RNA)
where:
Base-Base interactions energy: -325.207
where: short stacking energy: -147.925
Base-Backbone interact. energy: -0.009
local terms energy: -149.736144
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -41.791
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: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -468.634142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.634142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.634142 (E_RNA)
where:
Base-Base interactions energy: -337.033
where: short stacking energy: -160.155
Base-Backbone interact. energy: -0.010
local terms energy: -131.591584
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -442.838312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.838312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.838312 (E_RNA)
where:
Base-Base interactions energy: -302.024
where: short stacking energy: -134.959
Base-Backbone interact. energy: -0.347
local terms energy: -140.467220
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -32.948
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: 404
Temperature: 1.100000
Total energy: -431.543639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.543639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.543639 (E_RNA)
where:
Base-Base interactions energy: -301.597
where: short stacking energy: -137.250
Base-Backbone interact. energy: -0.027
local terms energy: -129.919944
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -36.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -429.145690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.145690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.145690 (E_RNA)
where:
Base-Base interactions energy: -302.998
where: short stacking energy: -124.071
Base-Backbone interact. energy: -0.785
local terms energy: -125.362486
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -34.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -413.585150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.585150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.585150 (E_RNA)
where:
Base-Base interactions energy: -305.945
where: short stacking energy: -135.918
Base-Backbone interact. energy: -0.031
local terms energy: -107.608821
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -33.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -304.530250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.530250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.530250 (E_RNA)
where:
Base-Base interactions energy: -197.783
where: short stacking energy: -89.293
Base-Backbone interact. energy: -0.337
local terms energy: -106.410540
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -23.452
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: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -269.895278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.895278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.895278 (E_RNA)
where:
Base-Base interactions energy: -166.603
where: short stacking energy: -83.338
Base-Backbone interact. energy: 0.935
local terms energy: -104.226875
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -264.495985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.495985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.495985 (E_RNA)
where:
Base-Base interactions energy: -167.293
where: short stacking energy: -84.819
Base-Backbone interact. energy: 1.110
local terms energy: -98.313658
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -496.455786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.455786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.455786 (E_RNA)
where:
Base-Base interactions energy: -346.319
where: short stacking energy: -155.711
Base-Backbone interact. energy: -0.168
local terms energy: -149.969123
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -39.891
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: 405
Temperature: 0.950000
Total energy: -485.005375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.005375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.005375 (E_RNA)
where:
Base-Base interactions energy: -341.072
where: short stacking energy: -157.035
Base-Backbone interact. energy: -0.006
local terms energy: -143.927394
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -30.806
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -43.397
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: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -482.785781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.785781 (E_RNA)
where:
Base-Base interactions energy: -328.990
where: short stacking energy: -159.279
Base-Backbone interact. energy: -0.348
local terms energy: -153.447488
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -43.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -438.168285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.168285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.168285 (E_RNA)
where:
Base-Base interactions energy: -301.340
where: short stacking energy: -148.734
Base-Backbone interact. energy: 0.436
local terms energy: -137.264498
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -34.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -420.911131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.911131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.911131 (E_RNA)
where:
Base-Base interactions energy: -295.920
where: short stacking energy: -141.052
Base-Backbone interact. energy: -1.531
local terms energy: -123.460263
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -29.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -433.564651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.564651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.564651 (E_RNA)
where:
Base-Base interactions energy: -310.222
where: short stacking energy: -127.096
Base-Backbone interact. energy: -1.199
local terms energy: -122.143244
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -36.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -410.272862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.272862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.272862 (E_RNA)
where:
Base-Base interactions energy: -281.690
where: short stacking energy: -124.775
Base-Backbone interact. energy: 0.721
local terms energy: -129.303656
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -31.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -291.832359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.832359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.832359 (E_RNA)
where:
Base-Base interactions energy: -194.069
where: short stacking energy: -90.622
Base-Backbone interact. energy: -0.688
local terms energy: -97.075632
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -15.149
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: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -291.894674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.894674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.894674 (E_RNA)
where:
Base-Base interactions energy: -191.902
where: short stacking energy: -88.873
Base-Backbone interact. energy: -0.218
local terms energy: -99.775023
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -269.095542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.095542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.095542 (E_RNA)
where:
Base-Base interactions energy: -155.225
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.271
local terms energy: -113.599974
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -27.398
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -16.924
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: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -489.430193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.430193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.430193 (E_RNA)
where:
Base-Base interactions energy: -336.557
where: short stacking energy: -150.234
Base-Backbone interact. energy: -0.898
local terms energy: -151.975124
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -44.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -488.921437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.921437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.921437 (E_RNA)
where:
Base-Base interactions energy: -342.264
where: short stacking energy: -147.027
Base-Backbone interact. energy: -1.031
local terms energy: -145.626105
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -43.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -471.253280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.253280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.253280 (E_RNA)
where:
Base-Base interactions energy: -325.810
where: short stacking energy: -148.517
Base-Backbone interact. energy: -0.158
local terms energy: -145.284916
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -45.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -425.376226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.376226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.376226 (E_RNA)
where:
Base-Base interactions energy: -295.928
where: short stacking energy: -130.894
Base-Backbone interact. energy: -0.078
local terms energy: -129.370573
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -28.533
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -435.473196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.473196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.473196 (E_RNA)
where:
Base-Base interactions energy: -298.811
where: short stacking energy: -132.443
Base-Backbone interact. energy: -1.108
local terms energy: -135.555109
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -39.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -413.373022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.373022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.373022 (E_RNA)
where:
Base-Base interactions energy: -276.992
where: short stacking energy: -128.936
Base-Backbone interact. energy: -0.653
local terms energy: -135.728743
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -37.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -405.993315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.993315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.993315 (E_RNA)
where:
Base-Base interactions energy: -279.236
where: short stacking energy: -127.201
Base-Backbone interact. energy: -0.201
local terms energy: -126.556603
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -32.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -334.055766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.055766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.055766 (E_RNA)
where:
Base-Base interactions energy: -229.217
where: short stacking energy: -105.617
Base-Backbone interact. energy: -0.454
local terms energy: -104.384518
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -29.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -293.638510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.638510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.638510 (E_RNA)
where:
Base-Base interactions energy: -187.740
where: short stacking energy: -82.553
Base-Backbone interact. energy: -0.329
local terms energy: -105.569760
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -263.828914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.828914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.828914 (E_RNA)
where:
Base-Base interactions energy: -163.712
where: short stacking energy: -95.902
Base-Backbone interact. energy: -0.358
local terms energy: -99.758343
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -493.095578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.095578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.095578 (E_RNA)
where:
Base-Base interactions energy: -345.565
where: short stacking energy: -163.985
Base-Backbone interact. energy: -0.313
local terms energy: -147.217588
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -489.999686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.999686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.999686 (E_RNA)
where:
Base-Base interactions energy: -335.203
where: short stacking energy: -151.161
Base-Backbone interact. energy: -0.109
local terms energy: -154.687968
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -45.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -465.407583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.407583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.407583 (E_RNA)
where:
Base-Base interactions energy: -322.281
where: short stacking energy: -154.572
Base-Backbone interact. energy: -0.195
local terms energy: -142.931607
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -39.613
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: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -443.318573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.318573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.318573 (E_RNA)
where:
Base-Base interactions energy: -312.268
where: short stacking energy: -142.088
Base-Backbone interact. energy: -0.134
local terms energy: -130.916356
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -27.335
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -35.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -425.842832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.842832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.842832 (E_RNA)
where:
Base-Base interactions energy: -292.219
where: short stacking energy: -140.583
Base-Backbone interact. energy: 0.091
local terms energy: -133.714518
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -32.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -444.458969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.458969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.458969 (E_RNA)
where:
Base-Base interactions energy: -308.374
where: short stacking energy: -130.641
Base-Backbone interact. energy: -0.705
local terms energy: -135.380247
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -27.517
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -34.842
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -404.478581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.478581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.478581 (E_RNA)
where:
Base-Base interactions energy: -277.237
where: short stacking energy: -123.475
Base-Backbone interact. energy: -0.874
local terms energy: -126.367655
where:
bonds (distance) C4'-P energy: -28.874
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -33.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -330.494647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.494647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.494647 (E_RNA)
where:
Base-Base interactions energy: -208.386
where: short stacking energy: -97.186
Base-Backbone interact. energy: -1.532
local terms energy: -120.577024
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -275.270945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.270945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.270945 (E_RNA)
where:
Base-Base interactions energy: -166.301
where: short stacking energy: -95.446
Base-Backbone interact. energy: -0.358
local terms energy: -108.612171
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -18.724
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -259.550326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.550326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.550326 (E_RNA)
where:
Base-Base interactions energy: -161.014
where: short stacking energy: -82.834
Base-Backbone interact. energy: -0.434
local terms energy: -98.102019
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -492.568508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.568508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.568508 (E_RNA)
where:
Base-Base interactions energy: -354.187
where: short stacking energy: -163.176
Base-Backbone interact. energy: -0.050
local terms energy: -138.332236
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -37.409
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -486.700342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.700342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.700342 (E_RNA)
where:
Base-Base interactions energy: -335.576
where: short stacking energy: -143.785
Base-Backbone interact. energy: -0.661
local terms energy: -150.463588
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -27.181
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -42.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -461.337487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.337487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.337487 (E_RNA)
where:
Base-Base interactions energy: -320.887
where: short stacking energy: -143.366
Base-Backbone interact. energy: -0.006
local terms energy: -140.444864
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -39.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -470.231033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.231033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.231033 (E_RNA)
where:
Base-Base interactions energy: -321.105
where: short stacking energy: -142.681
Base-Backbone interact. energy: -1.131
local terms energy: -147.994206
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -39.155
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: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -433.535412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.535412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.535412 (E_RNA)
where:
Base-Base interactions energy: -303.638
where: short stacking energy: -136.434
Base-Backbone interact. energy: -1.130
local terms energy: -128.767215
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: -37.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -428.852079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.852079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.852079 (E_RNA)
where:
Base-Base interactions energy: -303.672
where: short stacking energy: -143.068
Base-Backbone interact. energy: -0.124
local terms energy: -125.056756
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -34.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -401.253500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.253500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.253500 (E_RNA)
where:
Base-Base interactions energy: -274.018
where: short stacking energy: -127.926
Base-Backbone interact. energy: -0.023
local terms energy: -127.212639
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -30.950
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -300.668091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.668091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.668091 (E_RNA)
where:
Base-Base interactions energy: -183.567
where: short stacking energy: -95.837
Base-Backbone interact. energy: -0.158
local terms energy: -116.943639
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -295.608261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.608261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.608261 (E_RNA)
where:
Base-Base interactions energy: -195.914
where: short stacking energy: -93.336
Base-Backbone interact. energy: -0.264
local terms energy: -99.429727
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -19.683
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -244.149955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.149955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.149955 (E_RNA)
where:
Base-Base interactions energy: -146.525
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.958
local terms energy: -96.667090
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -486.534239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.534239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.534239 (E_RNA)
where:
Base-Base interactions energy: -347.276
where: short stacking energy: -154.060
Base-Backbone interact. energy: -0.015
local terms energy: -139.242793
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -41.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -453.797473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.797473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.797473 (E_RNA)
where:
Base-Base interactions energy: -312.850
where: short stacking energy: -141.977
Base-Backbone interact. energy: -0.154
local terms energy: -140.793444
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -27.287
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -39.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -468.607991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.607991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.607991 (E_RNA)
where:
Base-Base interactions energy: -340.835
where: short stacking energy: -142.428
Base-Backbone interact. energy: -0.537
local terms energy: -127.235707
where:
bonds (distance) C4'-P energy: -25.460
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -38.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -442.582333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.582333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.582333 (E_RNA)
where:
Base-Base interactions energy: -303.812
where: short stacking energy: -131.809
Base-Backbone interact. energy: -1.571
local terms energy: -137.198627
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -38.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -448.611816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.611816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.611816 (E_RNA)
where:
Base-Base interactions energy: -310.223
where: short stacking energy: -125.067
Base-Backbone interact. energy: -0.255
local terms energy: -138.134013
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -34.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -409.294272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.294272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.294272 (E_RNA)
where:
Base-Base interactions energy: -295.793
where: short stacking energy: -123.230
Base-Backbone interact. energy: -0.498
local terms energy: -113.002859
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -25.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -390.419393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.419393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.419393 (E_RNA)
where:
Base-Base interactions energy: -281.259
where: short stacking energy: -139.131
Base-Backbone interact. energy: -0.030
local terms energy: -109.131003
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -29.904
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: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -314.112785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.112785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.112785 (E_RNA)
where:
Base-Base interactions energy: -195.709
where: short stacking energy: -93.409
Base-Backbone interact. energy: -0.282
local terms energy: -118.121893
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -28.465
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -305.159779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.159779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.159779 (E_RNA)
where:
Base-Base interactions energy: -191.920
where: short stacking energy: -85.253
Base-Backbone interact. energy: 3.651
local terms energy: -116.890830
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -15.083
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -243.434449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.434449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.434449 (E_RNA)
where:
Base-Base interactions energy: -136.606
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.033
local terms energy: -106.796073
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -26.869
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -19.127
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: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -481.791525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.791525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.791525 (E_RNA)
where:
Base-Base interactions energy: -333.999
where: short stacking energy: -155.841
Base-Backbone interact. energy: -0.150
local terms energy: -147.642735
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -40.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -502.876752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.876752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.876752 (E_RNA)
where:
Base-Base interactions energy: -351.014
where: short stacking energy: -157.610
Base-Backbone interact. energy: -0.247
local terms energy: -151.615977
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -42.278
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: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -478.573141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.573141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.573141 (E_RNA)
where:
Base-Base interactions energy: -342.181
where: short stacking energy: -152.127
Base-Backbone interact. energy: -0.097
local terms energy: -136.295832
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -42.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -442.127740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.127740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.127740 (E_RNA)
where:
Base-Base interactions energy: -307.464
where: short stacking energy: -138.304
Base-Backbone interact. energy: -0.186
local terms energy: -134.476918
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -38.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -429.597023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.597023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.597023 (E_RNA)
where:
Base-Base interactions energy: -298.952
where: short stacking energy: -133.846
Base-Backbone interact. energy: -1.781
local terms energy: -128.863782
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -382.093929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.093929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.093929 (E_RNA)
where:
Base-Base interactions energy: -260.171
where: short stacking energy: -112.120
Base-Backbone interact. energy: -0.719
local terms energy: -121.204357
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -389.387712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.387712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.387712 (E_RNA)
where:
Base-Base interactions energy: -272.252
where: short stacking energy: -118.223
Base-Backbone interact. energy: 0.305
local terms energy: -117.440789
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -29.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -316.678850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.678850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.678850 (E_RNA)
where:
Base-Base interactions energy: -219.872
where: short stacking energy: -97.089
Base-Backbone interact. energy: -0.568
local terms energy: -96.239063
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -15.491
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: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -310.048282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.048282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.048282 (E_RNA)
where:
Base-Base interactions energy: -196.025
where: short stacking energy: -108.674
Base-Backbone interact. energy: -0.140
local terms energy: -113.882847
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -25.663
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: 410
Temperature: 1.350000
Total energy: -225.939922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.939922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.939922 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -77.523
Base-Backbone interact. energy: 0.213
local terms energy: -89.785295
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -495.257420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.257420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.257420 (E_RNA)
where:
Base-Base interactions energy: -337.056
where: short stacking energy: -162.451
Base-Backbone interact. energy: -0.005
local terms energy: -158.196252
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -45.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -493.132639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.132639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.132639 (E_RNA)
where:
Base-Base interactions energy: -346.047
where: short stacking energy: -153.268
Base-Backbone interact. energy: -0.071
local terms energy: -147.014676
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -43.913
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: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -473.425911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.425911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.425911 (E_RNA)
where:
Base-Base interactions energy: -337.491
where: short stacking energy: -148.337
Base-Backbone interact. energy: -1.425
local terms energy: -134.509550
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -423.135712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.135712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.135712 (E_RNA)
where:
Base-Base interactions energy: -294.272
where: short stacking energy: -115.765
Base-Backbone interact. energy: -0.948
local terms energy: -127.915710
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -435.325857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.325857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.325857 (E_RNA)
where:
Base-Base interactions energy: -308.733
where: short stacking energy: -137.937
Base-Backbone interact. energy: -0.012
local terms energy: -126.580625
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -34.485
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: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -397.789409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.789409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.789409 (E_RNA)
where:
Base-Base interactions energy: -272.443
where: short stacking energy: -124.886
Base-Backbone interact. energy: -0.603
local terms energy: -124.743900
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -29.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -376.393424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.393424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.393424 (E_RNA)
where:
Base-Base interactions energy: -260.601
where: short stacking energy: -126.451
Base-Backbone interact. energy: 0.118
local terms energy: -115.910810
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -30.061
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: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -282.677354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.677354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.677354 (E_RNA)
where:
Base-Base interactions energy: -193.312
where: short stacking energy: -83.212
Base-Backbone interact. energy: -0.507
local terms energy: -88.859076
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -299.185025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.185025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.185025 (E_RNA)
where:
Base-Base interactions energy: -197.048
where: short stacking energy: -85.713
Base-Backbone interact. energy: 0.100
local terms energy: -102.236425
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -21.393
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: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -267.225963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.225963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.225963 (E_RNA)
where:
Base-Base interactions energy: -169.619
where: short stacking energy: -97.834
Base-Backbone interact. energy: 0.916
local terms energy: -98.523183
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -22.344
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: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -500.826569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.826569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.826569 (E_RNA)
where:
Base-Base interactions energy: -351.810
where: short stacking energy: -158.783
Base-Backbone interact. energy: -0.254
local terms energy: -148.761960
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -40.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -483.510414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.510414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.510414 (E_RNA)
where:
Base-Base interactions energy: -331.674
where: short stacking energy: -156.121
Base-Backbone interact. energy: -0.394
local terms energy: -151.441790
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -45.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -452.178621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.178621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.178621 (E_RNA)
where:
Base-Base interactions energy: -318.735
where: short stacking energy: -125.904
Base-Backbone interact. energy: -0.700
local terms energy: -132.743372
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -30.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -470.377076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.377076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.377076 (E_RNA)
where:
Base-Base interactions energy: -327.463
where: short stacking energy: -143.374
Base-Backbone interact. energy: -0.250
local terms energy: -142.664191
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -394.908307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.908307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.908307 (E_RNA)
where:
Base-Base interactions energy: -275.912
where: short stacking energy: -123.307
Base-Backbone interact. energy: -1.249
local terms energy: -117.747157
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -32.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -421.592081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.592081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.592081 (E_RNA)
where:
Base-Base interactions energy: -287.072
where: short stacking energy: -116.897
Base-Backbone interact. energy: 0.686
local terms energy: -135.206569
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -32.634
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: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -396.401809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.401809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.401809 (E_RNA)
where:
Base-Base interactions energy: -265.921
where: short stacking energy: -118.889
Base-Backbone interact. energy: -0.458
local terms energy: -130.022680
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -37.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -300.353964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.353964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.353964 (E_RNA)
where:
Base-Base interactions energy: -196.821
where: short stacking energy: -100.055
Base-Backbone interact. energy: -1.065
local terms energy: -102.468417
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -22.068
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: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -254.909029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.909029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.909029 (E_RNA)
where:
Base-Base interactions energy: -155.248
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.618
local terms energy: -99.042854
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -10.247
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -301.753835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.753835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.753835 (E_RNA)
where:
Base-Base interactions energy: -190.520
where: short stacking energy: -92.943
Base-Backbone interact. energy: -0.351
local terms energy: -110.883385
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -28.250
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -488.588204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.588204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.588204 (E_RNA)
where:
Base-Base interactions energy: -344.332
where: short stacking energy: -150.862
Base-Backbone interact. energy: -0.837
local terms energy: -143.419371
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -29.553
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -464.470268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.470268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.470268 (E_RNA)
where:
Base-Base interactions energy: -336.848
where: short stacking energy: -138.040
Base-Backbone interact. energy: -1.363
local terms energy: -126.259533
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -476.378671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.378671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.378671 (E_RNA)
where:
Base-Base interactions energy: -330.660
where: short stacking energy: -159.337
Base-Backbone interact. energy: -0.985
local terms energy: -144.733164
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -43.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -466.706513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.706513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.706513 (E_RNA)
where:
Base-Base interactions energy: -325.370
where: short stacking energy: -147.044
Base-Backbone interact. energy: -0.600
local terms energy: -140.736832
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -29.118
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -44.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -395.075319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.075319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.075319 (E_RNA)
where:
Base-Base interactions energy: -275.400
where: short stacking energy: -122.408
Base-Backbone interact. energy: 0.018
local terms energy: -119.693859
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -418.561952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.561952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.561952 (E_RNA)
where:
Base-Base interactions energy: -297.012
where: short stacking energy: -132.571
Base-Backbone interact. energy: -0.401
local terms energy: -121.148943
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -37.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -395.096491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.096491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.096491 (E_RNA)
where:
Base-Base interactions energy: -274.663
where: short stacking energy: -125.484
Base-Backbone interact. energy: -0.030
local terms energy: -120.403291
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -34.797
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: 413
Temperature: 1.250000
Total energy: -287.827835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.827835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.827835 (E_RNA)
where:
Base-Base interactions energy: -183.653
where: short stacking energy: -109.279
Base-Backbone interact. energy: 0.657
local terms energy: -104.832106
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -264.068681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.068681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.068681 (E_RNA)
where:
Base-Base interactions energy: -161.518
where: short stacking energy: -74.594
Base-Backbone interact. energy: -1.051
local terms energy: -101.499308
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -261.949383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.949383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.949383 (E_RNA)
where:
Base-Base interactions energy: -164.749
where: short stacking energy: -78.146
Base-Backbone interact. energy: -0.584
local terms energy: -96.616469
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -492.362972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.362972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.362972 (E_RNA)
where:
Base-Base interactions energy: -339.666
where: short stacking energy: -152.746
Base-Backbone interact. energy: -1.119
local terms energy: -151.577632
where:
bonds (distance) C4'-P energy: -25.525
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -41.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -448.641574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.641574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.641574 (E_RNA)
where:
Base-Base interactions energy: -313.753
where: short stacking energy: -125.717
Base-Backbone interact. energy: -0.246
local terms energy: -134.642351
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -32.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -473.003734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.003734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.003734 (E_RNA)
where:
Base-Base interactions energy: -339.149
where: short stacking energy: -158.071
Base-Backbone interact. energy: -0.602
local terms energy: -133.252620
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -19.966
tors. eta vs tors. theta energy: -44.709
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -466.436634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.436634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.436634 (E_RNA)
where:
Base-Base interactions energy: -327.734
where: short stacking energy: -144.983
Base-Backbone interact. energy: -0.664
local terms energy: -138.039327
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -38.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -398.942272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.942272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.942272 (E_RNA)
where:
Base-Base interactions energy: -270.002
where: short stacking energy: -117.320
Base-Backbone interact. energy: -1.351
local terms energy: -127.588698
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -28.173
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: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -390.831458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.831458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.831458 (E_RNA)
where:
Base-Base interactions energy: -262.094
where: short stacking energy: -115.495
Base-Backbone interact. energy: -0.684
local terms energy: -128.053053
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -27.346
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: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -385.074245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.074245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.074245 (E_RNA)
where:
Base-Base interactions energy: -260.848
where: short stacking energy: -108.100
Base-Backbone interact. energy: -0.318
local terms energy: -123.907619
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -26.263
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: 414
Temperature: 1.250000
Total energy: -296.621629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.621629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.621629 (E_RNA)
where:
Base-Base interactions energy: -202.268
where: short stacking energy: -98.467
Base-Backbone interact. energy: 2.575
local terms energy: -96.928697
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -302.857341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.857341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.857341 (E_RNA)
where:
Base-Base interactions energy: -198.245
where: short stacking energy: -90.329
Base-Backbone interact. energy: -0.527
local terms energy: -104.085465
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -27.443
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -19.843
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: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -235.557634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.557634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.557634 (E_RNA)
where:
Base-Base interactions energy: -152.070
where: short stacking energy: -84.921
Base-Backbone interact. energy: 1.706
local terms energy: -85.193988
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -15.364
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: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -489.418858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.418858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.418858 (E_RNA)
where:
Base-Base interactions energy: -350.957
where: short stacking energy: -158.228
Base-Backbone interact. energy: -0.592
local terms energy: -137.869464
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -41.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -469.619350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.619350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.619350 (E_RNA)
where:
Base-Base interactions energy: -320.404
where: short stacking energy: -155.488
Base-Backbone interact. energy: -0.598
local terms energy: -148.616757
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -38.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -449.953612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.953612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.953612 (E_RNA)
where:
Base-Base interactions energy: -319.983
where: short stacking energy: -127.321
Base-Backbone interact. energy: 0.660
local terms energy: -130.629912
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -29.762
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: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -463.378859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.378859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.378859 (E_RNA)
where:
Base-Base interactions energy: -325.430
where: short stacking energy: -144.418
Base-Backbone interact. energy: -0.411
local terms energy: -137.538258
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -37.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -416.580004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.580004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.580004 (E_RNA)
where:
Base-Base interactions energy: -286.042
where: short stacking energy: -124.935
Base-Backbone interact. energy: -0.789
local terms energy: -129.749081
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -33.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -388.401623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.401623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.401623 (E_RNA)
where:
Base-Base interactions energy: -260.191
where: short stacking energy: -113.631
Base-Backbone interact. energy: -0.383
local terms energy: -127.827721
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -27.021
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: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -400.364313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.364313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.364313 (E_RNA)
where:
Base-Base interactions energy: -272.277
where: short stacking energy: -118.801
Base-Backbone interact. energy: -0.426
local terms energy: -127.660994
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -27.720
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -36.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -309.695956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.695956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.695956 (E_RNA)
where:
Base-Base interactions energy: -207.448
where: short stacking energy: -97.786
Base-Backbone interact. energy: 0.102
local terms energy: -102.350267
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -18.633
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: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -277.008590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.008590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.008590 (E_RNA)
where:
Base-Base interactions energy: -184.167
where: short stacking energy: -83.589
Base-Backbone interact. energy: -0.755
local terms energy: -92.086733
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -250.076112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.076112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.076112 (E_RNA)
where:
Base-Base interactions energy: -157.916
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.326
local terms energy: -91.834029
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -9.137
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: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -500.280741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.280741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.280741 (E_RNA)
where:
Base-Base interactions energy: -352.663
where: short stacking energy: -159.539
Base-Backbone interact. energy: -1.203
local terms energy: -146.414472
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -40.611
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: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -472.408516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.408516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.408516 (E_RNA)
where:
Base-Base interactions energy: -321.757
where: short stacking energy: -151.254
Base-Backbone interact. energy: -0.001
local terms energy: -150.650730
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -43.251
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: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -471.841090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.841090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.841090 (E_RNA)
where:
Base-Base interactions energy: -323.880
where: short stacking energy: -143.496
Base-Backbone interact. energy: -0.142
local terms energy: -147.819118
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -36.286
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: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -435.641848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.641848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.641848 (E_RNA)
where:
Base-Base interactions energy: -312.550
where: short stacking energy: -139.286
Base-Backbone interact. energy: -0.194
local terms energy: -122.897906
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -30.192
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -32.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -412.356049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.356049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.356049 (E_RNA)
where:
Base-Base interactions energy: -283.846
where: short stacking energy: -127.821
Base-Backbone interact. energy: -0.903
local terms energy: -127.606767
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -32.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -414.920031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.920031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.920031 (E_RNA)
where:
Base-Base interactions energy: -292.394
where: short stacking energy: -126.321
Base-Backbone interact. energy: 0.414
local terms energy: -122.939833
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -34.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -395.668541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.668541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.668541 (E_RNA)
where:
Base-Base interactions energy: -263.927
where: short stacking energy: -113.589
Base-Backbone interact. energy: -0.483
local terms energy: -131.258907
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -32.645
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: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -310.504688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.504688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.504688 (E_RNA)
where:
Base-Base interactions energy: -204.266
where: short stacking energy: -102.036
Base-Backbone interact. energy: -0.092
local terms energy: -106.146500
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -290.311658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.311658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.311658 (E_RNA)
where:
Base-Base interactions energy: -183.267
where: short stacking energy: -87.824
Base-Backbone interact. energy: -0.942
local terms energy: -106.103501
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -226.544676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.544676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.544676 (E_RNA)
where:
Base-Base interactions energy: -134.149
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.185
local terms energy: -92.211261
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -498.210575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.210575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.210575 (E_RNA)
where:
Base-Base interactions energy: -352.176
where: short stacking energy: -157.862
Base-Backbone interact. energy: 0.387
local terms energy: -146.421677
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -41.366
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: 417
Temperature: 0.950000
Total energy: -477.124055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.124055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.124055 (E_RNA)
where:
Base-Base interactions energy: -328.124
where: short stacking energy: -158.304
Base-Backbone interact. energy: -0.739
local terms energy: -148.261001
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -41.987
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: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -463.784825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.784825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.784825 (E_RNA)
where:
Base-Base interactions energy: -323.836
where: short stacking energy: -155.227
Base-Backbone interact. energy: -0.075
local terms energy: -139.873683
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -37.022
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: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -444.805475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.805475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.805475 (E_RNA)
where:
Base-Base interactions energy: -304.497
where: short stacking energy: -139.643
Base-Backbone interact. energy: -0.664
local terms energy: -139.643811
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -427.652933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.652933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.652933 (E_RNA)
where:
Base-Base interactions energy: -299.868
where: short stacking energy: -135.337
Base-Backbone interact. energy: 0.288
local terms energy: -128.073247
where:
bonds (distance) C4'-P energy: -23.024
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -31.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -401.218123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.218123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.218123 (E_RNA)
where:
Base-Base interactions energy: -271.532
where: short stacking energy: -111.015
Base-Backbone interact. energy: -1.126
local terms energy: -128.560518
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -34.094
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: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -393.125281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.125281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.125281 (E_RNA)
where:
Base-Base interactions energy: -274.044
where: short stacking energy: -131.862
Base-Backbone interact. energy: -0.987
local terms energy: -118.094740
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -33.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -289.708680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.708680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.708680 (E_RNA)
where:
Base-Base interactions energy: -182.569
where: short stacking energy: -84.768
Base-Backbone interact. energy: -0.194
local terms energy: -106.946564
where:
bonds (distance) C4'-P energy: -24.661
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -284.365644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.365644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.365644 (E_RNA)
where:
Base-Base interactions energy: -182.500
where: short stacking energy: -85.156
Base-Backbone interact. energy: -0.174
local terms energy: -101.691754
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -296.247096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.247096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.247096 (E_RNA)
where:
Base-Base interactions energy: -195.419
where: short stacking energy: -98.400
Base-Backbone interact. energy: -0.448
local terms energy: -100.379478
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -23.797
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -27.898
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: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -489.837914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.837914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.837914 (E_RNA)
where:
Base-Base interactions energy: -345.047
where: short stacking energy: -154.999
Base-Backbone interact. energy: -1.077
local terms energy: -143.713931
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -30.222
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -40.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -481.942994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.942994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.942994 (E_RNA)
where:
Base-Base interactions energy: -327.233
where: short stacking energy: -147.559
Base-Backbone interact. energy: -1.513
local terms energy: -153.197323
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -43.902
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: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -449.928299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.928299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.928299 (E_RNA)
where:
Base-Base interactions energy: -314.679
where: short stacking energy: -128.812
Base-Backbone interact. energy: -2.749
local terms energy: -132.499984
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -461.896600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.896600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.896600 (E_RNA)
where:
Base-Base interactions energy: -327.152
where: short stacking energy: -156.100
Base-Backbone interact. energy: -0.081
local terms energy: -134.663184
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -39.090
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -432.808045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.808045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.808045 (E_RNA)
where:
Base-Base interactions energy: -295.273
where: short stacking energy: -137.153
Base-Backbone interact. energy: -0.362
local terms energy: -137.173505
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -22.967
tors. eta vs tors. theta energy: -33.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -396.480869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.480869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.480869 (E_RNA)
where:
Base-Base interactions energy: -271.433
where: short stacking energy: -122.191
Base-Backbone interact. energy: -0.093
local terms energy: -124.954454
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -33.718
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: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -420.244471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.244471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.244471 (E_RNA)
where:
Base-Base interactions energy: -282.386
where: short stacking energy: -118.705
Base-Backbone interact. energy: -2.178
local terms energy: -135.680224
where:
bonds (distance) C4'-P energy: -29.633
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -30.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -294.137315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.137315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.137315 (E_RNA)
where:
Base-Base interactions energy: -195.357
where: short stacking energy: -103.238
Base-Backbone interact. energy: -0.280
local terms energy: -98.500676
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -297.607152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.607152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.607152 (E_RNA)
where:
Base-Base interactions energy: -187.781
where: short stacking energy: -90.071
Base-Backbone interact. energy: -0.381
local terms energy: -109.444710
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -15.127
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: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -279.279431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.279431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.279431 (E_RNA)
where:
Base-Base interactions energy: -165.470
where: short stacking energy: -78.072
Base-Backbone interact. energy: -0.211
local terms energy: -113.598617
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -490.316500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.316500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.316500 (E_RNA)
where:
Base-Base interactions energy: -344.122
where: short stacking energy: -154.234
Base-Backbone interact. energy: -0.078
local terms energy: -146.116572
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -29.769
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -45.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -485.229389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.229389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.229389 (E_RNA)
where:
Base-Base interactions energy: -334.047
where: short stacking energy: -156.808
Base-Backbone interact. energy: -1.481
local terms energy: -149.701011
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -43.164
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: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -455.900249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.900249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.900249 (E_RNA)
where:
Base-Base interactions energy: -317.939
where: short stacking energy: -139.756
Base-Backbone interact. energy: -0.016
local terms energy: -137.944901
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -37.362
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: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -445.674221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.674221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.674221 (E_RNA)
where:
Base-Base interactions energy: -311.722
where: short stacking energy: -141.918
Base-Backbone interact. energy: -0.427
local terms energy: -133.525413
where:
bonds (distance) C4'-P energy: -24.267
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -32.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -434.936010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.936010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.936010 (E_RNA)
where:
Base-Base interactions energy: -301.315
where: short stacking energy: -126.974
Base-Backbone interact. energy: -0.065
local terms energy: -133.555584
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -411.971192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.971192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.971192 (E_RNA)
where:
Base-Base interactions energy: -284.759
where: short stacking energy: -129.145
Base-Backbone interact. energy: -0.869
local terms energy: -126.343243
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -33.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -392.991085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.991085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.991085 (E_RNA)
where:
Base-Base interactions energy: -282.102
where: short stacking energy: -121.288
Base-Backbone interact. energy: 2.509
local terms energy: -113.397728
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -27.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -325.388480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.388480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.388480 (E_RNA)
where:
Base-Base interactions energy: -208.098
where: short stacking energy: -91.922
Base-Backbone interact. energy: -1.423
local terms energy: -115.867285
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -27.545
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -304.888739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.888739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.888739 (E_RNA)
where:
Base-Base interactions energy: -204.263
where: short stacking energy: -110.284
Base-Backbone interact. energy: -0.345
local terms energy: -100.279933
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -25.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -253.602330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.602330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.602330 (E_RNA)
where:
Base-Base interactions energy: -164.754
where: short stacking energy: -71.915
Base-Backbone interact. energy: -0.321
local terms energy: -88.527469
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -479.954296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.954296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.954296 (E_RNA)
where:
Base-Base interactions energy: -327.227
where: short stacking energy: -156.011
Base-Backbone interact. energy: -0.172
local terms energy: -152.555317
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -39.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -484.602282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.602282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.602282 (E_RNA)
where:
Base-Base interactions energy: -344.444
where: short stacking energy: -152.581
Base-Backbone interact. energy: -0.054
local terms energy: -140.104076
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -39.064
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: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -449.453678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.453678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.453678 (E_RNA)
where:
Base-Base interactions energy: -310.669
where: short stacking energy: -133.183
Base-Backbone interact. energy: -0.201
local terms energy: -138.583544
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -28.965
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -453.827624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.827624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.827624 (E_RNA)
where:
Base-Base interactions energy: -321.755
where: short stacking energy: -140.180
Base-Backbone interact. energy: -0.002
local terms energy: -132.070017
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -37.917
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: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -429.202837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.202837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.202837 (E_RNA)
where:
Base-Base interactions energy: -308.707
where: short stacking energy: -138.788
Base-Backbone interact. energy: -0.825
local terms energy: -119.670233
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -38.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -406.317121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.317121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.317121 (E_RNA)
where:
Base-Base interactions energy: -275.494
where: short stacking energy: -131.585
Base-Backbone interact. energy: -0.964
local terms energy: -129.859111
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -33.430
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: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -420.802988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.802988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.802988 (E_RNA)
where:
Base-Base interactions energy: -296.800
where: short stacking energy: -124.840
Base-Backbone interact. energy: 0.146
local terms energy: -124.149049
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.337
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: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -318.858985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.858985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.858985 (E_RNA)
where:
Base-Base interactions energy: -214.942
where: short stacking energy: -97.872
Base-Backbone interact. energy: -0.317
local terms energy: -103.600460
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -299.645803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.645803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.645803 (E_RNA)
where:
Base-Base interactions energy: -193.878
where: short stacking energy: -95.778
Base-Backbone interact. energy: -1.379
local terms energy: -104.389024
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -266.921512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.921512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.921512 (E_RNA)
where:
Base-Base interactions energy: -160.094
where: short stacking energy: -80.247
Base-Backbone interact. energy: 0.407
local terms energy: -107.234353
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -16.775
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: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -477.666668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.666668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.666668 (E_RNA)
where:
Base-Base interactions energy: -325.083
where: short stacking energy: -151.235
Base-Backbone interact. energy: -1.422
local terms energy: -151.161654
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -41.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -496.723684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.723684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.723684 (E_RNA)
where:
Base-Base interactions energy: -351.056
where: short stacking energy: -163.722
Base-Backbone interact. energy: -1.230
local terms energy: -144.437495
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -40.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -454.264009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.264009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.264009 (E_RNA)
where:
Base-Base interactions energy: -312.783
where: short stacking energy: -146.901
Base-Backbone interact. energy: -0.855
local terms energy: -140.626388
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -35.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -440.237381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.237381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.237381 (E_RNA)
where:
Base-Base interactions energy: -315.847
where: short stacking energy: -149.476
Base-Backbone interact. energy: -0.662
local terms energy: -123.728072
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -31.660
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: 421
Temperature: 1.100000
Total energy: -444.235095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.235095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.235095 (E_RNA)
where:
Base-Base interactions energy: -310.284
where: short stacking energy: -129.316
Base-Backbone interact. energy: 0.336
local terms energy: -134.286766
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -30.974
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: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -411.697163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.697163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.697163 (E_RNA)
where:
Base-Base interactions energy: -290.270
where: short stacking energy: -126.841
Base-Backbone interact. energy: -0.161
local terms energy: -121.265574
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -28.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -407.702170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.702170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.702170 (E_RNA)
where:
Base-Base interactions energy: -296.864
where: short stacking energy: -126.252
Base-Backbone interact. energy: -0.196
local terms energy: -110.642603
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -31.134
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: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -335.783085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.783085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.783085 (E_RNA)
where:
Base-Base interactions energy: -218.448
where: short stacking energy: -116.931
Base-Backbone interact. energy: -0.350
local terms energy: -116.984889
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -29.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -260.800256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.800256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.800256 (E_RNA)
where:
Base-Base interactions energy: -166.817
where: short stacking energy: -81.940
Base-Backbone interact. energy: -0.284
local terms energy: -93.699663
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -8.720
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: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -255.722026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.722026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.722026 (E_RNA)
where:
Base-Base interactions energy: -156.314
where: short stacking energy: -83.133
Base-Backbone interact. energy: 0.134
local terms energy: -99.541852
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -12.940
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: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -484.575953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.575953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.575953 (E_RNA)
where:
Base-Base interactions energy: -343.868
where: short stacking energy: -148.786
Base-Backbone interact. energy: -0.491
local terms energy: -140.216882
where:
bonds (distance) C4'-P energy: -26.224
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -31.329
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -38.844
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -482.061872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.061872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.061872 (E_RNA)
where:
Base-Base interactions energy: -340.033
where: short stacking energy: -155.497
Base-Backbone interact. energy: -0.889
local terms energy: -141.139531
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -457.913982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.913982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.913982 (E_RNA)
where:
Base-Base interactions energy: -310.456
where: short stacking energy: -146.732
Base-Backbone interact. energy: -2.357
local terms energy: -145.100390
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -36.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -451.408809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.408809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.408809 (E_RNA)
where:
Base-Base interactions energy: -310.944
where: short stacking energy: -151.546
Base-Backbone interact. energy: -1.467
local terms energy: -138.998498
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -39.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -432.934006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.934006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.934006 (E_RNA)
where:
Base-Base interactions energy: -315.947
where: short stacking energy: -126.249
Base-Backbone interact. energy: -1.438
local terms energy: -115.549119
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -415.089665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.089665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.089665 (E_RNA)
where:
Base-Base interactions energy: -295.466
where: short stacking energy: -135.803
Base-Backbone interact. energy: -0.326
local terms energy: -119.297641
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -30.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -401.471971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.471971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.471971 (E_RNA)
where:
Base-Base interactions energy: -289.509
where: short stacking energy: -121.717
Base-Backbone interact. energy: 3.620
local terms energy: -115.582840
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -31.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -317.882638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.882638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.882638 (E_RNA)
where:
Base-Base interactions energy: -206.212
where: short stacking energy: -102.642
Base-Backbone interact. energy: -1.279
local terms energy: -110.391362
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -30.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -278.830742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.830742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.830742 (E_RNA)
where:
Base-Base interactions energy: -171.360
where: short stacking energy: -76.797
Base-Backbone interact. energy: -0.689
local terms energy: -106.781734
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -19.449
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: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -277.227672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.227672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.227672 (E_RNA)
where:
Base-Base interactions energy: -186.941
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.412
local terms energy: -89.873886
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -485.279443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.279443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.279443 (E_RNA)
where:
Base-Base interactions energy: -328.064
where: short stacking energy: -143.156
Base-Backbone interact. energy: -1.778
local terms energy: -155.436990
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -41.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -461.384208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.384208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.384208 (E_RNA)
where:
Base-Base interactions energy: -316.757
where: short stacking energy: -145.893
Base-Backbone interact. energy: -0.927
local terms energy: -143.700408
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: -39.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -459.721108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.721108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.721108 (E_RNA)
where:
Base-Base interactions energy: -321.354
where: short stacking energy: -137.716
Base-Backbone interact. energy: -0.039
local terms energy: -138.328621
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -34.791
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: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -450.133679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.133679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.133679 (E_RNA)
where:
Base-Base interactions energy: -323.512
where: short stacking energy: -140.553
Base-Backbone interact. energy: -0.423
local terms energy: -126.199421
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -444.612893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.612893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.612893 (E_RNA)
where:
Base-Base interactions energy: -308.245
where: short stacking energy: -142.894
Base-Backbone interact. energy: -1.516
local terms energy: -134.851223
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -33.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -394.874022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.874022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.874022 (E_RNA)
where:
Base-Base interactions energy: -267.758
where: short stacking energy: -129.191
Base-Backbone interact. energy: -0.027
local terms energy: -127.089412
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -36.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -380.895276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.895276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.895276 (E_RNA)
where:
Base-Base interactions energy: -262.917
where: short stacking energy: -109.634
Base-Backbone interact. energy: -2.468
local terms energy: -115.510092
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -284.727937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.727937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.727937 (E_RNA)
where:
Base-Base interactions energy: -188.743
where: short stacking energy: -87.450
Base-Backbone interact. energy: -0.792
local terms energy: -95.192935
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -298.855889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.855889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.855889 (E_RNA)
where:
Base-Base interactions energy: -188.681
where: short stacking energy: -106.535
Base-Backbone interact. energy: -0.399
local terms energy: -109.776525
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -27.905
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -25.981
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: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -280.328832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.328832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.328832 (E_RNA)
where:
Base-Base interactions energy: -188.010
where: short stacking energy: -82.190
Base-Backbone interact. energy: -1.279
local terms energy: -91.039459
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -489.103217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.103217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.103217 (E_RNA)
where:
Base-Base interactions energy: -331.771
where: short stacking energy: -155.844
Base-Backbone interact. energy: -0.803
local terms energy: -156.529511
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -43.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -475.840230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.840230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.840230 (E_RNA)
where:
Base-Base interactions energy: -326.759
where: short stacking energy: -148.024
Base-Backbone interact. energy: -1.257
local terms energy: -147.824393
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -43.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -457.513403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.513403 (E_RNA)
where:
Base-Base interactions energy: -325.130
where: short stacking energy: -140.202
Base-Backbone interact. energy: 0.109
local terms energy: -132.491540
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -37.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -452.418678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.418678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.418678 (E_RNA)
where:
Base-Base interactions energy: -302.562
where: short stacking energy: -137.390
Base-Backbone interact. energy: -0.017
local terms energy: -149.839299
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -38.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -433.469896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.469896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.469896 (E_RNA)
where:
Base-Base interactions energy: -297.236
where: short stacking energy: -141.144
Base-Backbone interact. energy: -0.167
local terms energy: -136.066719
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -37.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -424.107227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.107227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.107227 (E_RNA)
where:
Base-Base interactions energy: -308.392
where: short stacking energy: -128.084
Base-Backbone interact. energy: -0.796
local terms energy: -114.920019
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -31.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -390.328745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.328745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.328745 (E_RNA)
where:
Base-Base interactions energy: -280.490
where: short stacking energy: -130.866
Base-Backbone interact. energy: -0.843
local terms energy: -108.995366
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -32.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -285.232424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.232424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.232424 (E_RNA)
where:
Base-Base interactions energy: -178.974
where: short stacking energy: -95.765
Base-Backbone interact. energy: -0.121
local terms energy: -106.137855
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -14.520
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: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -268.039872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.039872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.039872 (E_RNA)
where:
Base-Base interactions energy: -165.905
where: short stacking energy: -94.570
Base-Backbone interact. energy: -0.247
local terms energy: -101.887292
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -265.425221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.425221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.425221 (E_RNA)
where:
Base-Base interactions energy: -169.291
where: short stacking energy: -76.613
Base-Backbone interact. energy: 0.373
local terms energy: -96.506724
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -488.791509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.791509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.791509 (E_RNA)
where:
Base-Base interactions energy: -345.224
where: short stacking energy: -155.587
Base-Backbone interact. energy: -1.668
local terms energy: -141.899872
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -40.597
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: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -460.668254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.668254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.668254 (E_RNA)
where:
Base-Base interactions energy: -317.999
where: short stacking energy: -140.115
Base-Backbone interact. energy: 0.833
local terms energy: -143.502096
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -41.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -466.081768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.081768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.081768 (E_RNA)
where:
Base-Base interactions energy: -319.171
where: short stacking energy: -147.719
Base-Backbone interact. energy: -0.020
local terms energy: -146.890350
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -44.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -457.176819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.176819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.176819 (E_RNA)
where:
Base-Base interactions energy: -315.073
where: short stacking energy: -146.357
Base-Backbone interact. energy: 0.441
local terms energy: -142.544674
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -438.694946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.694946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.694946 (E_RNA)
where:
Base-Base interactions energy: -303.077
where: short stacking energy: -141.224
Base-Backbone interact. energy: -0.316
local terms energy: -135.301957
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -37.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -414.255281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.255281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.255281 (E_RNA)
where:
Base-Base interactions energy: -294.181
where: short stacking energy: -120.763
Base-Backbone interact. energy: -2.442
local terms energy: -117.632736
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -27.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -417.275957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.275957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.275957 (E_RNA)
where:
Base-Base interactions energy: -288.158
where: short stacking energy: -122.896
Base-Backbone interact. energy: 1.660
local terms energy: -130.777972
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -32.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -249.497125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.497125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.497125 (E_RNA)
where:
Base-Base interactions energy: -167.193
where: short stacking energy: -68.072
Base-Backbone interact. energy: -0.164
local terms energy: -82.139557
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -5.788
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -302.328107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.328107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.328107 (E_RNA)
where:
Base-Base interactions energy: -198.292
where: short stacking energy: -88.136
Base-Backbone interact. energy: -0.849
local terms energy: -103.187706
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -247.517792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.517792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.517792 (E_RNA)
where:
Base-Base interactions energy: -153.673
where: short stacking energy: -74.571
Base-Backbone interact. energy: -0.082
local terms energy: -93.762862
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -497.493499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.493499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.493499 (E_RNA)
where:
Base-Base interactions energy: -345.055
where: short stacking energy: -159.550
Base-Backbone interact. energy: -0.626
local terms energy: -151.812658
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -40.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -468.929818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.929818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.929818 (E_RNA)
where:
Base-Base interactions energy: -330.617
where: short stacking energy: -148.104
Base-Backbone interact. energy: -0.367
local terms energy: -137.945821
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -38.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -471.456198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.456198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.456198 (E_RNA)
where:
Base-Base interactions energy: -323.049
where: short stacking energy: -152.216
Base-Backbone interact. energy: -0.863
local terms energy: -147.544528
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -44.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -470.923491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.923491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.923491 (E_RNA)
where:
Base-Base interactions energy: -333.855
where: short stacking energy: -147.528
Base-Backbone interact. energy: -0.099
local terms energy: -136.969333
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -36.856
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: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -457.328539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.328539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.328539 (E_RNA)
where:
Base-Base interactions energy: -312.709
where: short stacking energy: -146.413
Base-Backbone interact. energy: -0.079
local terms energy: -144.540735
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -28.382
flat angles C4'-P-C4' energy: -32.587
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -38.971
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: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -392.978231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.978231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.978231 (E_RNA)
where:
Base-Base interactions energy: -279.373
where: short stacking energy: -105.985
Base-Backbone interact. energy: -2.237
local terms energy: -111.368014
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -25.229
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -426.655387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.655387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.655387 (E_RNA)
where:
Base-Base interactions energy: -301.419
where: short stacking energy: -131.683
Base-Backbone interact. energy: -0.118
local terms energy: -125.117882
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -36.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -283.249651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.249651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.249651 (E_RNA)
where:
Base-Base interactions energy: -186.969
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.386
local terms energy: -95.894454
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -326.140247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.140247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.140247 (E_RNA)
where:
Base-Base interactions energy: -222.920
where: short stacking energy: -97.139
Base-Backbone interact. energy: -0.904
local terms energy: -102.316983
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -25.537
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -253.753337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.753337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.753337 (E_RNA)
where:
Base-Base interactions energy: -155.860
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.873
local terms energy: -97.020275
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -494.656475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.656475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.656475 (E_RNA)
where:
Base-Base interactions energy: -347.374
where: short stacking energy: -154.997
Base-Backbone interact. energy: -0.002
local terms energy: -147.280619
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -42.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -475.079145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.079145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.079145 (E_RNA)
where:
Base-Base interactions energy: -322.942
where: short stacking energy: -156.974
Base-Backbone interact. energy: -0.004
local terms energy: -152.132740
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -25.530
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -42.675
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: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -457.866804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.866804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.866804 (E_RNA)
where:
Base-Base interactions energy: -322.786
where: short stacking energy: -132.443
Base-Backbone interact. energy: 0.346
local terms energy: -135.427017
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -37.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -468.231853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.231853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.231853 (E_RNA)
where:
Base-Base interactions energy: -328.785
where: short stacking energy: -153.839
Base-Backbone interact. energy: 1.128
local terms energy: -140.574335
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -37.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -443.400584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.400584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.400584 (E_RNA)
where:
Base-Base interactions energy: -304.488
where: short stacking energy: -143.911
Base-Backbone interact. energy: 2.757
local terms energy: -141.669291
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -41.196
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: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -415.250423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.250423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.250423 (E_RNA)
where:
Base-Base interactions energy: -295.102
where: short stacking energy: -123.003
Base-Backbone interact. energy: -0.273
local terms energy: -119.875656
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -30.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -410.170493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.170493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.170493 (E_RNA)
where:
Base-Base interactions energy: -281.877
where: short stacking energy: -140.557
Base-Backbone interact. energy: -0.302
local terms energy: -127.991555
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -36.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -336.829009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.829009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.829009 (E_RNA)
where:
Base-Base interactions energy: -235.098
where: short stacking energy: -109.214
Base-Backbone interact. energy: 0.433
local terms energy: -102.163755
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -21.251
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: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -313.233742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.233742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.233742 (E_RNA)
where:
Base-Base interactions energy: -199.848
where: short stacking energy: -86.454
Base-Backbone interact. energy: -0.485
local terms energy: -112.900809
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -269.388413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.388413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.388413 (E_RNA)
where:
Base-Base interactions energy: -171.356
where: short stacking energy: -76.281
Base-Backbone interact. energy: -0.636
local terms energy: -97.396780
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -30.124
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -1.527
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: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -483.029302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.029302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.029302 (E_RNA)
where:
Base-Base interactions energy: -339.756
where: short stacking energy: -154.896
Base-Backbone interact. energy: -0.023
local terms energy: -143.250242
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -41.942
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: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -482.540119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.540119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.540119 (E_RNA)
where:
Base-Base interactions energy: -333.881
where: short stacking energy: -149.020
Base-Backbone interact. energy: -0.050
local terms energy: -148.609048
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -41.799
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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -461.203486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.203486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.203486 (E_RNA)
where:
Base-Base interactions energy: -322.985
where: short stacking energy: -138.564
Base-Backbone interact. energy: -0.366
local terms energy: -137.853094
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -37.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -452.768820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.768820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.768820 (E_RNA)
where:
Base-Base interactions energy: -318.341
where: short stacking energy: -133.747
Base-Backbone interact. energy: -1.903
local terms energy: -132.524011
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -33.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -470.842273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.842273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.842273 (E_RNA)
where:
Base-Base interactions energy: -334.130
where: short stacking energy: -144.159
Base-Backbone interact. energy: -0.326
local terms energy: -136.385905
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -42.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -416.585300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.585300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.585300 (E_RNA)
where:
Base-Base interactions energy: -293.414
where: short stacking energy: -122.815
Base-Backbone interact. energy: -0.977
local terms energy: -122.194471
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -30.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -406.022657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.022657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.022657 (E_RNA)
where:
Base-Base interactions energy: -280.864
where: short stacking energy: -120.059
Base-Backbone interact. energy: -0.169
local terms energy: -124.989509
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -28.288
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -30.920
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -328.364460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.364460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.364460 (E_RNA)
where:
Base-Base interactions energy: -225.883
where: short stacking energy: -119.137
Base-Backbone interact. energy: 0.430
local terms energy: -102.911978
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -26.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -314.299471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.299471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.299471 (E_RNA)
where:
Base-Base interactions energy: -205.787
where: short stacking energy: -108.316
Base-Backbone interact. energy: 1.661
local terms energy: -110.172991
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -29.540
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: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -253.546544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.546544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.546544 (E_RNA)
where:
Base-Base interactions energy: -150.231
where: short stacking energy: -76.356
Base-Backbone interact. energy: -0.610
local terms energy: -102.705274
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -481.926881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.926881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.926881 (E_RNA)
where:
Base-Base interactions energy: -333.174
where: short stacking energy: -148.519
Base-Backbone interact. energy: -0.929
local terms energy: -147.823139
where:
bonds (distance) C4'-P energy: -27.086
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -40.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -491.051982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.051982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.051982 (E_RNA)
where:
Base-Base interactions energy: -337.924
where: short stacking energy: -156.989
Base-Backbone interact. energy: -0.219
local terms energy: -152.908919
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -46.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -474.647478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.647478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.647478 (E_RNA)
where:
Base-Base interactions energy: -342.805
where: short stacking energy: -142.503
Base-Backbone interact. energy: -0.107
local terms energy: -131.736121
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -35.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -459.011560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.011560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.011560 (E_RNA)
where:
Base-Base interactions energy: -312.983
where: short stacking energy: -150.409
Base-Backbone interact. energy: -0.008
local terms energy: -146.020985
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -43.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -436.048170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.048170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.048170 (E_RNA)
where:
Base-Base interactions energy: -307.536
where: short stacking energy: -136.342
Base-Backbone interact. energy: -1.067
local terms energy: -127.444688
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -33.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -415.618375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.618375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.618375 (E_RNA)
where:
Base-Base interactions energy: -281.597
where: short stacking energy: -118.217
Base-Backbone interact. energy: -1.977
local terms energy: -132.044035
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -432.976910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.976910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.976910 (E_RNA)
where:
Base-Base interactions energy: -301.437
where: short stacking energy: -139.489
Base-Backbone interact. energy: -0.325
local terms energy: -131.214432
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -313.554347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.554347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.554347 (E_RNA)
where:
Base-Base interactions energy: -209.194
where: short stacking energy: -103.927
Base-Backbone interact. energy: 2.073
local terms energy: -106.432907
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -27.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -293.896749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.896749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.896749 (E_RNA)
where:
Base-Base interactions energy: -195.678
where: short stacking energy: -80.698
Base-Backbone interact. energy: -1.489
local terms energy: -96.730278
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -259.055497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.055497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.055497 (E_RNA)
where:
Base-Base interactions energy: -153.131
where: short stacking energy: -78.775
Base-Backbone interact. energy: -0.416
local terms energy: -105.508391
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -496.641070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.641070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.641070 (E_RNA)
where:
Base-Base interactions energy: -348.841
where: short stacking energy: -163.771
Base-Backbone interact. energy: -0.733
local terms energy: -147.066477
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -44.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -474.199507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.199507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.199507 (E_RNA)
where:
Base-Base interactions energy: -324.577
where: short stacking energy: -149.702
Base-Backbone interact. energy: -2.714
local terms energy: -146.908672
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -45.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -471.721346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.721346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.721346 (E_RNA)
where:
Base-Base interactions energy: -327.138
where: short stacking energy: -150.645
Base-Backbone interact. energy: 0.917
local terms energy: -145.499969
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -38.591
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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -451.760956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.760956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.760956 (E_RNA)
where:
Base-Base interactions energy: -315.111
where: short stacking energy: -142.318
Base-Backbone interact. energy: -0.759
local terms energy: -135.890442
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -25.646
flat angles C4'-P-C4' energy: -28.929
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -35.389
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -459.319077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.319077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.319077 (E_RNA)
where:
Base-Base interactions energy: -318.760
where: short stacking energy: -137.253
Base-Backbone interact. energy: -0.556
local terms energy: -140.003377
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -38.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -422.614840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.614840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.614840 (E_RNA)
where:
Base-Base interactions energy: -287.656
where: short stacking energy: -142.645
Base-Backbone interact. energy: -0.623
local terms energy: -134.336567
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -390.287188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.287188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.287188 (E_RNA)
where:
Base-Base interactions energy: -284.019
where: short stacking energy: -121.639
Base-Backbone interact. energy: -0.245
local terms energy: -106.022878
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -31.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -288.800005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.800005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.800005 (E_RNA)
where:
Base-Base interactions energy: -177.531
where: short stacking energy: -88.804
Base-Backbone interact. energy: 1.356
local terms energy: -112.625138
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -267.475818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.475818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.475818 (E_RNA)
where:
Base-Base interactions energy: -181.946
where: short stacking energy: -73.942
Base-Backbone interact. energy: -1.730
local terms energy: -83.799664
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -9.559
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: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -261.147278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.147278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.147278 (E_RNA)
where:
Base-Base interactions energy: -167.117
where: short stacking energy: -75.511
Base-Backbone interact. energy: -1.322
local terms energy: -92.707506
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -485.040150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.040150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.040150 (E_RNA)
where:
Base-Base interactions energy: -332.065
where: short stacking energy: -143.811
Base-Backbone interact. energy: -0.656
local terms energy: -152.319146
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -38.071
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: 431
Temperature: 0.950000
Total energy: -487.882251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.882251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.882251 (E_RNA)
where:
Base-Base interactions energy: -340.943
where: short stacking energy: -159.702
Base-Backbone interact. energy: -0.492
local terms energy: -146.448014
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -44.226
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: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -460.463996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.463996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.463996 (E_RNA)
where:
Base-Base interactions energy: -325.314
where: short stacking energy: -137.181
Base-Backbone interact. energy: -0.662
local terms energy: -134.488630
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -34.466
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: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -484.165040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.165040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.165040 (E_RNA)
where:
Base-Base interactions energy: -337.847
where: short stacking energy: -151.068
Base-Backbone interact. energy: -0.381
local terms energy: -145.937880
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -40.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -446.035480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.035480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.035480 (E_RNA)
where:
Base-Base interactions energy: -316.323
where: short stacking energy: -142.686
Base-Backbone interact. energy: -0.713
local terms energy: -128.999684
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -39.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -404.049342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.049342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.049342 (E_RNA)
where:
Base-Base interactions energy: -279.954
where: short stacking energy: -128.833
Base-Backbone interact. energy: -0.176
local terms energy: -123.918977
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -36.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -408.787158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.787158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.787158 (E_RNA)
where:
Base-Base interactions energy: -281.373
where: short stacking energy: -140.089
Base-Backbone interact. energy: -0.532
local terms energy: -126.882067
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -40.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -304.337232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.337232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.337232 (E_RNA)
where:
Base-Base interactions energy: -196.569
where: short stacking energy: -102.178
Base-Backbone interact. energy: -0.057
local terms energy: -107.711649
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -293.276862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.276862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.276862 (E_RNA)
where:
Base-Base interactions energy: -198.148
where: short stacking energy: -101.982
Base-Backbone interact. energy: -0.739
local terms energy: -94.389674
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -27.053
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: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -234.235531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.235531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.235531 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.324
local terms energy: -79.659728
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -11.101
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: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -487.761716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.761716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.761716 (E_RNA)
where:
Base-Base interactions energy: -340.244
where: short stacking energy: -153.984
Base-Backbone interact. energy: -0.374
local terms energy: -147.143633
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -39.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -461.938203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.938203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.938203 (E_RNA)
where:
Base-Base interactions energy: -316.444
where: short stacking energy: -147.615
Base-Backbone interact. energy: -0.019
local terms energy: -145.474382
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -40.114
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: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -466.733258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.733258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.733258 (E_RNA)
where:
Base-Base interactions energy: -325.753
where: short stacking energy: -149.408
Base-Backbone interact. energy: 0.475
local terms energy: -141.455191
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -40.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -462.737322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.737322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.737322 (E_RNA)
where:
Base-Base interactions energy: -331.748
where: short stacking energy: -156.155
Base-Backbone interact. energy: -0.710
local terms energy: -130.280031
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -38.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -441.612679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.612679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.612679 (E_RNA)
where:
Base-Base interactions energy: -314.957
where: short stacking energy: -143.112
Base-Backbone interact. energy: -0.686
local terms energy: -125.969535
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -41.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -436.600801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.600801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.600801 (E_RNA)
where:
Base-Base interactions energy: -303.660
where: short stacking energy: -133.511
Base-Backbone interact. energy: -0.525
local terms energy: -132.415306
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -387.983470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.983470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.983470 (E_RNA)
where:
Base-Base interactions energy: -265.423
where: short stacking energy: -119.268
Base-Backbone interact. energy: -0.500
local terms energy: -122.060352
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -299.582716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.582716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.582716 (E_RNA)
where:
Base-Base interactions energy: -191.293
where: short stacking energy: -108.715
Base-Backbone interact. energy: -0.523
local terms energy: -107.766840
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -25.547
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -273.490948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.490948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.490948 (E_RNA)
where:
Base-Base interactions energy: -173.908
where: short stacking energy: -80.340
Base-Backbone interact. energy: -1.490
local terms energy: -98.093673
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -12.718
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: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -297.191047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.191047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.191047 (E_RNA)
where:
Base-Base interactions energy: -202.144
where: short stacking energy: -87.358
Base-Backbone interact. energy: -0.777
local terms energy: -94.270708
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -11.223
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: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -489.958278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.958278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.958278 (E_RNA)
where:
Base-Base interactions energy: -346.710
where: short stacking energy: -163.102
Base-Backbone interact. energy: -0.285
local terms energy: -142.963286
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -27.972
flat angles C4'-P-C4' energy: -30.959
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -41.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -486.952742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.952742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.952742 (E_RNA)
where:
Base-Base interactions energy: -341.388
where: short stacking energy: -160.205
Base-Backbone interact. energy: -0.057
local terms energy: -145.507566
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -44.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -469.814941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.814941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.814941 (E_RNA)
where:
Base-Base interactions energy: -323.606
where: short stacking energy: -152.569
Base-Backbone interact. energy: -0.454
local terms energy: -145.755730
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -44.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -454.114998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.114998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.114998 (E_RNA)
where:
Base-Base interactions energy: -314.935
where: short stacking energy: -141.025
Base-Backbone interact. energy: -0.139
local terms energy: -139.040955
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -451.599754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.599754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.599754 (E_RNA)
where:
Base-Base interactions energy: -306.249
where: short stacking energy: -136.202
Base-Backbone interact. energy: -0.296
local terms energy: -145.054536
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -37.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -404.268491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.268491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.268491 (E_RNA)
where:
Base-Base interactions energy: -285.835
where: short stacking energy: -131.590
Base-Backbone interact. energy: -0.745
local terms energy: -117.687878
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -27.924
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -413.715886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.715886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.715886 (E_RNA)
where:
Base-Base interactions energy: -285.967
where: short stacking energy: -122.873
Base-Backbone interact. energy: -1.779
local terms energy: -125.969952
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -35.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -279.306693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.306693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.306693 (E_RNA)
where:
Base-Base interactions energy: -173.576
where: short stacking energy: -101.721
Base-Backbone interact. energy: -0.215
local terms energy: -105.515739
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -285.243322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.243322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.243322 (E_RNA)
where:
Base-Base interactions energy: -191.456
where: short stacking energy: -102.814
Base-Backbone interact. energy: -0.939
local terms energy: -92.847904
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -279.132440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.132440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.132440 (E_RNA)
where:
Base-Base interactions energy: -181.918
where: short stacking energy: -76.507
Base-Backbone interact. energy: 0.027
local terms energy: -97.241979
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -503.938979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.938979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.938979 (E_RNA)
where:
Base-Base interactions energy: -347.235
where: short stacking energy: -166.307
Base-Backbone interact. energy: -0.290
local terms energy: -156.413337
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -482.614097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.614097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.614097 (E_RNA)
where:
Base-Base interactions energy: -342.018
where: short stacking energy: -145.246
Base-Backbone interact. energy: -0.169
local terms energy: -140.427389
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -43.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -464.456858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.456858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.456858 (E_RNA)
where:
Base-Base interactions energy: -323.222
where: short stacking energy: -147.632
Base-Backbone interact. energy: -0.652
local terms energy: -140.582995
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -42.148
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: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -446.705453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.705453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.705453 (E_RNA)
where:
Base-Base interactions energy: -318.042
where: short stacking energy: -131.126
Base-Backbone interact. energy: -0.014
local terms energy: -128.649554
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -30.688
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -36.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -443.499212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.499212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.499212 (E_RNA)
where:
Base-Base interactions energy: -306.306
where: short stacking energy: -140.615
Base-Backbone interact. energy: -0.006
local terms energy: -137.187230
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -33.297
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -35.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -403.886158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.886158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.886158 (E_RNA)
where:
Base-Base interactions energy: -276.033
where: short stacking energy: -116.330
Base-Backbone interact. energy: -1.515
local terms energy: -126.338810
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -29.298
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: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -406.166774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.166774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.166774 (E_RNA)
where:
Base-Base interactions energy: -268.433
where: short stacking energy: -117.194
Base-Backbone interact. energy: 0.532
local terms energy: -138.266202
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -36.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -295.063457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.063457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.063457 (E_RNA)
where:
Base-Base interactions energy: -196.448
where: short stacking energy: -86.276
Base-Backbone interact. energy: -0.806
local terms energy: -97.809915
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -259.762676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.762676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.762676 (E_RNA)
where:
Base-Base interactions energy: -159.966
where: short stacking energy: -79.166
Base-Backbone interact. energy: 2.021
local terms energy: -101.817755
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -15.103
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -206.158742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.158742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.158742 (E_RNA)
where:
Base-Base interactions energy: -115.448
where: short stacking energy: -60.235
Base-Backbone interact. energy: -0.084
local terms energy: -90.627208
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -495.833271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.833271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.833271 (E_RNA)
where:
Base-Base interactions energy: -340.936
where: short stacking energy: -162.081
Base-Backbone interact. energy: -0.342
local terms energy: -154.555365
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -32.572
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -43.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -470.051935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.051935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.051935 (E_RNA)
where:
Base-Base interactions energy: -321.592
where: short stacking energy: -149.928
Base-Backbone interact. energy: -0.432
local terms energy: -148.027692
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -41.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -472.037891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.037891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.037891 (E_RNA)
where:
Base-Base interactions energy: -334.859
where: short stacking energy: -155.670
Base-Backbone interact. energy: -1.267
local terms energy: -135.911104
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -36.387
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: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -450.089572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.089572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.089572 (E_RNA)
where:
Base-Base interactions energy: -307.170
where: short stacking energy: -131.831
Base-Backbone interact. energy: -0.168
local terms energy: -142.751389
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -34.442
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: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -448.689559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.689559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.689559 (E_RNA)
where:
Base-Base interactions energy: -306.623
where: short stacking energy: -136.856
Base-Backbone interact. energy: -0.378
local terms energy: -141.688472
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -39.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -427.971442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.971442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.971442 (E_RNA)
where:
Base-Base interactions energy: -297.606
where: short stacking energy: -136.262
Base-Backbone interact. energy: -1.078
local terms energy: -129.286888
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -37.158
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: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -408.884074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.884074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.884074 (E_RNA)
where:
Base-Base interactions energy: -278.683
where: short stacking energy: -117.794
Base-Backbone interact. energy: -0.291
local terms energy: -129.909768
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -282.262315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.262315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.262315 (E_RNA)
where:
Base-Base interactions energy: -181.040
where: short stacking energy: -105.830
Base-Backbone interact. energy: -0.972
local terms energy: -100.250076
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -281.657715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.657715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.657715 (E_RNA)
where:
Base-Base interactions energy: -175.082
where: short stacking energy: -106.538
Base-Backbone interact. energy: -0.542
local terms energy: -106.033615
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -208.562501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.562501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.562501 (E_RNA)
where:
Base-Base interactions energy: -107.436
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.489
local terms energy: -100.637550
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -28.402
flat angles P-C4'-P energy: -16.580
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: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -481.125757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.125757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.125757 (E_RNA)
where:
Base-Base interactions energy: -333.997
where: short stacking energy: -143.947
Base-Backbone interact. energy: -0.554
local terms energy: -146.575145
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -37.821
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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -472.081182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.081182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.081182 (E_RNA)
where:
Base-Base interactions energy: -337.281
where: short stacking energy: -148.799
Base-Backbone interact. energy: -1.084
local terms energy: -133.715991
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -38.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -461.929557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.929557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.929557 (E_RNA)
where:
Base-Base interactions energy: -316.949
where: short stacking energy: -141.087
Base-Backbone interact. energy: -0.287
local terms energy: -144.693459
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -33.342
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: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -444.671064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.671064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.671064 (E_RNA)
where:
Base-Base interactions energy: -319.638
where: short stacking energy: -141.056
Base-Backbone interact. energy: -0.507
local terms energy: -124.526181
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -431.459174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.459174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.459174 (E_RNA)
where:
Base-Base interactions energy: -301.269
where: short stacking energy: -141.497
Base-Backbone interact. energy: -0.200
local terms energy: -129.989678
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -36.634
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: 436
Temperature: 1.150000
Total energy: -446.830829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.830829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.830829 (E_RNA)
where:
Base-Base interactions energy: -319.283
where: short stacking energy: -140.074
Base-Backbone interact. energy: -0.408
local terms energy: -127.139918
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -427.876690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.876690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.876690 (E_RNA)
where:
Base-Base interactions energy: -293.628
where: short stacking energy: -123.508
Base-Backbone interact. energy: -0.508
local terms energy: -133.740769
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -31.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -290.481381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.481381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.481381 (E_RNA)
where:
Base-Base interactions energy: -193.222
where: short stacking energy: -92.125
Base-Backbone interact. energy: -0.075
local terms energy: -97.184270
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -267.421995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.421995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.421995 (E_RNA)
where:
Base-Base interactions energy: -162.322
where: short stacking energy: -82.856
Base-Backbone interact. energy: -0.197
local terms energy: -104.902526
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -13.013
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: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -194.355112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.355112 (E_RNA)
where:
Base-Base interactions energy: -120.661
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.662
local terms energy: -73.032050
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -11.534
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -491.775272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.775272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.775272 (E_RNA)
where:
Base-Base interactions energy: -339.507
where: short stacking energy: -148.016
Base-Backbone interact. energy: -0.710
local terms energy: -151.558693
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -41.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -473.286732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.286732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.286732 (E_RNA)
where:
Base-Base interactions energy: -321.987
where: short stacking energy: -150.477
Base-Backbone interact. energy: -2.089
local terms energy: -149.210453
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -45.569
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: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -464.110991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.110991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.110991 (E_RNA)
where:
Base-Base interactions energy: -332.988
where: short stacking energy: -145.066
Base-Backbone interact. energy: -0.012
local terms energy: -131.111358
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -33.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -450.275248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.275248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.275248 (E_RNA)
where:
Base-Base interactions energy: -303.472
where: short stacking energy: -135.754
Base-Backbone interact. energy: -0.323
local terms energy: -146.480203
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -37.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -435.064682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.064682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.064682 (E_RNA)
where:
Base-Base interactions energy: -299.708
where: short stacking energy: -112.530
Base-Backbone interact. energy: -2.498
local terms energy: -132.858352
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -34.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -460.255474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.255474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.255474 (E_RNA)
where:
Base-Base interactions energy: -325.240
where: short stacking energy: -141.773
Base-Backbone interact. energy: -0.051
local terms energy: -134.964895
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -35.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -404.043475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.043475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.043475 (E_RNA)
where:
Base-Base interactions energy: -280.941
where: short stacking energy: -124.023
Base-Backbone interact. energy: 0.397
local terms energy: -123.499295
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -268.505146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.505146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.505146 (E_RNA)
where:
Base-Base interactions energy: -160.496
where: short stacking energy: -85.017
Base-Backbone interact. energy: 1.817
local terms energy: -109.826669
where:
bonds (distance) C4'-P energy: -23.511
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -263.575599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.575599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.575599 (E_RNA)
where:
Base-Base interactions energy: -160.448
where: short stacking energy: -84.405
Base-Backbone interact. energy: -0.156
local terms energy: -102.971123
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -17.331
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: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -199.937210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.937210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.937210 (E_RNA)
where:
Base-Base interactions energy: -101.896
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.060
local terms energy: -97.980955
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -492.789885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.789885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.789885 (E_RNA)
where:
Base-Base interactions energy: -340.339
where: short stacking energy: -155.519
Base-Backbone interact. energy: -0.952
local terms energy: -151.499438
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -40.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -484.702132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.702132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.702132 (E_RNA)
where:
Base-Base interactions energy: -336.937
where: short stacking energy: -147.209
Base-Backbone interact. energy: -0.203
local terms energy: -147.562330
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -453.168658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.168658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.168658 (E_RNA)
where:
Base-Base interactions energy: -312.878
where: short stacking energy: -144.264
Base-Backbone interact. energy: -0.564
local terms energy: -139.726672
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -38.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -434.532360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.532360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.532360 (E_RNA)
where:
Base-Base interactions energy: -306.483
where: short stacking energy: -132.391
Base-Backbone interact. energy: -0.024
local terms energy: -128.025498
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -34.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -449.304232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.304232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.304232 (E_RNA)
where:
Base-Base interactions energy: -321.753
where: short stacking energy: -145.698
Base-Backbone interact. energy: -0.525
local terms energy: -127.026618
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -37.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -439.962997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.962997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.962997 (E_RNA)
where:
Base-Base interactions energy: -298.732
where: short stacking energy: -131.986
Base-Backbone interact. energy: -1.064
local terms energy: -140.167062
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -26.272
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -41.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -401.929218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.929218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.929218 (E_RNA)
where:
Base-Base interactions energy: -281.402
where: short stacking energy: -119.833
Base-Backbone interact. energy: -0.430
local terms energy: -120.097196
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -30.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -327.476036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.476036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.476036 (E_RNA)
where:
Base-Base interactions energy: -213.497
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.053
local terms energy: -113.925872
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -27.938
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -199.365593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.365593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.365593 (E_RNA)
where:
Base-Base interactions energy: -115.919
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.623
local terms energy: -82.824382
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -6.686
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: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -289.205198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.205198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.205198 (E_RNA)
where:
Base-Base interactions energy: -181.465
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.483
local terms energy: -107.256693
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -14.770
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: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -490.106154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.106154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.106154 (E_RNA)
where:
Base-Base interactions energy: -336.687
where: short stacking energy: -165.455
Base-Backbone interact. energy: -0.128
local terms energy: -153.290893
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -22.769
tors. eta vs tors. theta energy: -46.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -482.147453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.147453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.147453 (E_RNA)
where:
Base-Base interactions energy: -340.517
where: short stacking energy: -156.661
Base-Backbone interact. energy: -0.043
local terms energy: -141.588145
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -46.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -469.885882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.885882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.885882 (E_RNA)
where:
Base-Base interactions energy: -327.392
where: short stacking energy: -155.135
Base-Backbone interact. energy: -0.238
local terms energy: -142.255639
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -40.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -459.217060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.217060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.217060 (E_RNA)
where:
Base-Base interactions energy: -322.630
where: short stacking energy: -149.122
Base-Backbone interact. energy: -0.566
local terms energy: -136.020912
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -38.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -435.289635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.289635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.289635 (E_RNA)
where:
Base-Base interactions energy: -304.917
where: short stacking energy: -131.456
Base-Backbone interact. energy: -0.406
local terms energy: -129.966371
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -29.111
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -36.689
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: 439
Temperature: 1.150000
Total energy: -434.270439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.270439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.270439 (E_RNA)
where:
Base-Base interactions energy: -303.637
where: short stacking energy: -140.547
Base-Backbone interact. energy: -0.062
local terms energy: -130.571566
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -37.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -366.306070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.306070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.306070 (E_RNA)
where:
Base-Base interactions energy: -249.511
where: short stacking energy: -117.978
Base-Backbone interact. energy: 2.233
local terms energy: -119.027812
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -28.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -344.017619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.017619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.017619 (E_RNA)
where:
Base-Base interactions energy: -230.305
where: short stacking energy: -107.412
Base-Backbone interact. energy: -0.899
local terms energy: -112.813505
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -27.668
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: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -238.801049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.801049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.801049 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -64.814
Base-Backbone interact. energy: 0.505
local terms energy: -115.632448
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -311.343041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.343041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.343041 (E_RNA)
where:
Base-Base interactions energy: -214.269
where: short stacking energy: -85.371
Base-Backbone interact. energy: -1.415
local terms energy: -95.659469
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -16.300
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: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -486.231383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.231383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.231383 (E_RNA)
where:
Base-Base interactions energy: -331.344
where: short stacking energy: -154.268
Base-Backbone interact. energy: 0.132
local terms energy: -155.019331
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -43.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -487.107128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.107128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.107128 (E_RNA)
where:
Base-Base interactions energy: -343.107
where: short stacking energy: -148.876
Base-Backbone interact. energy: -0.340
local terms energy: -143.659488
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -38.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -472.420083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.420083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.420083 (E_RNA)
where:
Base-Base interactions energy: -334.563
where: short stacking energy: -146.135
Base-Backbone interact. energy: -0.156
local terms energy: -137.701635
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -40.877
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -460.180759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.180759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.180759 (E_RNA)
where:
Base-Base interactions energy: -319.499
where: short stacking energy: -156.919
Base-Backbone interact. energy: -0.003
local terms energy: -140.678872
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -37.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -440.106195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.106195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.106195 (E_RNA)
where:
Base-Base interactions energy: -301.827
where: short stacking energy: -131.636
Base-Backbone interact. energy: -1.405
local terms energy: -136.873610
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -35.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -433.185042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.185042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.185042 (E_RNA)
where:
Base-Base interactions energy: -296.903
where: short stacking energy: -126.449
Base-Backbone interact. energy: -0.513
local terms energy: -135.769441
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -38.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -394.952366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.952366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.952366 (E_RNA)
where:
Base-Base interactions energy: -278.519
where: short stacking energy: -124.916
Base-Backbone interact. energy: -1.267
local terms energy: -115.165716
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -32.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -348.944409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.944409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.944409 (E_RNA)
where:
Base-Base interactions energy: -245.242
where: short stacking energy: -122.092
Base-Backbone interact. energy: -0.310
local terms energy: -103.392437
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -280.727808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.727808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.727808 (E_RNA)
where:
Base-Base interactions energy: -166.132
where: short stacking energy: -74.935
Base-Backbone interact. energy: -0.602
local terms energy: -113.993476
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -9.975
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: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -236.463676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.463676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.463676 (E_RNA)
where:
Base-Base interactions energy: -156.305
where: short stacking energy: -75.382
Base-Backbone interact. energy: -1.570
local terms energy: -78.588635
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -10.982
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: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -489.114877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.114877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.114877 (E_RNA)
where:
Base-Base interactions energy: -342.581
where: short stacking energy: -163.690
Base-Backbone interact. energy: -0.335
local terms energy: -146.198333
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -21.217
tors. eta vs tors. theta energy: -44.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -488.191475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.191475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.191475 (E_RNA)
where:
Base-Base interactions energy: -341.504
where: short stacking energy: -166.162
Base-Backbone interact. energy: -0.008
local terms energy: -146.679903
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -43.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -469.161401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.161401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.161401 (E_RNA)
where:
Base-Base interactions energy: -323.581
where: short stacking energy: -132.847
Base-Backbone interact. energy: -0.450
local terms energy: -145.129971
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -39.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -440.629493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.629493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.629493 (E_RNA)
where:
Base-Base interactions energy: -310.364
where: short stacking energy: -127.950
Base-Backbone interact. energy: -1.621
local terms energy: -128.645063
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -33.235
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: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -454.486807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.486807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.486807 (E_RNA)
where:
Base-Base interactions energy: -317.028
where: short stacking energy: -147.127
Base-Backbone interact. energy: -0.236
local terms energy: -137.222724
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -41.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -418.032389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.032389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.032389 (E_RNA)
where:
Base-Base interactions energy: -290.200
where: short stacking energy: -130.683
Base-Backbone interact. energy: 2.709
local terms energy: -130.541303
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -34.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -423.274992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.274992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.274992 (E_RNA)
where:
Base-Base interactions energy: -293.335
where: short stacking energy: -131.210
Base-Backbone interact. energy: -0.632
local terms energy: -129.308588
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -36.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -352.330276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.330276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.330276 (E_RNA)
where:
Base-Base interactions energy: -234.377
where: short stacking energy: -112.978
Base-Backbone interact. energy: 0.403
local terms energy: -118.356048
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -30.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -289.426813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.426813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.426813 (E_RNA)
where:
Base-Base interactions energy: -188.852
where: short stacking energy: -94.437
Base-Backbone interact. energy: -0.133
local terms energy: -100.442219
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -11.572
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: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -242.302650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.302650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.302650 (E_RNA)
where:
Base-Base interactions energy: -162.930
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.463
local terms energy: -78.909858
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -6.610
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: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -489.609609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.609609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.609609 (E_RNA)
where:
Base-Base interactions energy: -336.172
where: short stacking energy: -163.251
Base-Backbone interact. energy: -0.646
local terms energy: -152.791731
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -45.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -479.520528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.520528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.520528 (E_RNA)
where:
Base-Base interactions energy: -335.121
where: short stacking energy: -152.960
Base-Backbone interact. energy: -0.322
local terms energy: -144.077469
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -45.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -459.913503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.913503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.913503 (E_RNA)
where:
Base-Base interactions energy: -323.410
where: short stacking energy: -142.526
Base-Backbone interact. energy: -1.037
local terms energy: -135.467123
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -37.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -444.035298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.035298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.035298 (E_RNA)
where:
Base-Base interactions energy: -311.048
where: short stacking energy: -142.067
Base-Backbone interact. energy: -1.150
local terms energy: -131.837541
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -35.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -407.095902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.095902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.095902 (E_RNA)
where:
Base-Base interactions energy: -267.858
where: short stacking energy: -120.760
Base-Backbone interact. energy: -0.118
local terms energy: -139.119481
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -34.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -446.293826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.293826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.293826 (E_RNA)
where:
Base-Base interactions energy: -312.631
where: short stacking energy: -147.319
Base-Backbone interact. energy: -0.344
local terms energy: -133.318690
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -41.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -378.460675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.460675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.460675 (E_RNA)
where:
Base-Base interactions energy: -256.370
where: short stacking energy: -129.880
Base-Backbone interact. energy: -0.032
local terms energy: -122.058231
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -425.899975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.899975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.899975 (E_RNA)
where:
Base-Base interactions energy: -300.425
where: short stacking energy: -134.685
Base-Backbone interact. energy: -0.930
local terms energy: -124.544039
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -37.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -272.213120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.213120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.213120 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -89.764
Base-Backbone interact. energy: -0.156
local terms energy: -106.671888
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -19.765
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: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -243.117032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.117032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.117032 (E_RNA)
where:
Base-Base interactions energy: -153.474
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.412
local terms energy: -89.231058
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -488.010853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.010853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.010853 (E_RNA)
where:
Base-Base interactions energy: -339.826
where: short stacking energy: -147.066
Base-Backbone interact. energy: -0.930
local terms energy: -147.255056
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -481.774027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.774027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.774027 (E_RNA)
where:
Base-Base interactions energy: -333.976
where: short stacking energy: -153.154
Base-Backbone interact. energy: -0.049
local terms energy: -147.749915
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -28.092
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -43.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -469.724704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.724704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.724704 (E_RNA)
where:
Base-Base interactions energy: -332.002
where: short stacking energy: -149.763
Base-Backbone interact. energy: -0.558
local terms energy: -137.164823
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -41.731
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: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -459.910360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.910360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.910360 (E_RNA)
where:
Base-Base interactions energy: -322.646
where: short stacking energy: -143.786
Base-Backbone interact. energy: -2.248
local terms energy: -135.016120
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -39.820
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: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -419.677372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.677372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.677372 (E_RNA)
where:
Base-Base interactions energy: -291.707
where: short stacking energy: -135.609
Base-Backbone interact. energy: -1.562
local terms energy: -126.408583
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -34.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -433.917636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.917636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.917636 (E_RNA)
where:
Base-Base interactions energy: -303.107
where: short stacking energy: -135.906
Base-Backbone interact. energy: -0.228
local terms energy: -130.583368
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -41.870
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: 443
Temperature: 1.200000
Total energy: -364.173644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.173644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.173644 (E_RNA)
where:
Base-Base interactions energy: -242.320
where: short stacking energy: -97.071
Base-Backbone interact. energy: -0.056
local terms energy: -121.797632
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -26.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -384.062615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.062615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.062615 (E_RNA)
where:
Base-Base interactions energy: -275.246
where: short stacking energy: -120.018
Base-Backbone interact. energy: -0.199
local terms energy: -108.617647
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -29.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -270.258287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.258287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.258287 (E_RNA)
where:
Base-Base interactions energy: -180.522
where: short stacking energy: -94.685
Base-Backbone interact. energy: 1.390
local terms energy: -91.126486
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -234.724300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.724300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.724300 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.796
local terms energy: -85.364286
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -487.369041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.369041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.369041 (E_RNA)
where:
Base-Base interactions energy: -342.354
where: short stacking energy: -152.080
Base-Backbone interact. energy: -1.385
local terms energy: -143.629926
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -37.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -472.223009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.223009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.223009 (E_RNA)
where:
Base-Base interactions energy: -325.656
where: short stacking energy: -140.680
Base-Backbone interact. energy: -0.859
local terms energy: -145.707955
where:
bonds (distance) C4'-P energy: -30.857
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -37.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -468.680307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.680307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.680307 (E_RNA)
where:
Base-Base interactions energy: -317.171
where: short stacking energy: -135.287
Base-Backbone interact. energy: -0.768
local terms energy: -150.742005
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -43.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -448.869029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.869029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.869029 (E_RNA)
where:
Base-Base interactions energy: -312.226
where: short stacking energy: -130.366
Base-Backbone interact. energy: -0.707
local terms energy: -135.936067
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -33.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -446.377121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.377121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.377121 (E_RNA)
where:
Base-Base interactions energy: -309.575
where: short stacking energy: -139.567
Base-Backbone interact. energy: -0.301
local terms energy: -136.500898
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -35.449
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: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -404.495688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.495688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.495688 (E_RNA)
where:
Base-Base interactions energy: -276.189
where: short stacking energy: -123.818
Base-Backbone interact. energy: -0.428
local terms energy: -127.878570
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -34.837
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: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -403.139179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.139179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.139179 (E_RNA)
where:
Base-Base interactions energy: -290.210
where: short stacking energy: -122.236
Base-Backbone interact. energy: -0.180
local terms energy: -112.748602
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -30.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -367.244476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.244476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.244476 (E_RNA)
where:
Base-Base interactions energy: -258.979
where: short stacking energy: -109.318
Base-Backbone interact. energy: -0.771
local terms energy: -107.495234
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -269.855358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.855358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.855358 (E_RNA)
where:
Base-Base interactions energy: -171.193
where: short stacking energy: -94.906
Base-Backbone interact. energy: -0.855
local terms energy: -97.807719
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -264.596182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.596182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.596182 (E_RNA)
where:
Base-Base interactions energy: -180.736
where: short stacking energy: -89.280
Base-Backbone interact. energy: -0.564
local terms energy: -83.296146
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -496.160833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.160833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.160833 (E_RNA)
where:
Base-Base interactions energy: -347.576
where: short stacking energy: -156.794
Base-Backbone interact. energy: -0.068
local terms energy: -148.516857
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -39.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -492.102883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.102883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.102883 (E_RNA)
where:
Base-Base interactions energy: -342.946
where: short stacking energy: -152.149
Base-Backbone interact. energy: -0.903
local terms energy: -148.253937
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -452.980249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.980249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.980249 (E_RNA)
where:
Base-Base interactions energy: -318.148
where: short stacking energy: -139.131
Base-Backbone interact. energy: -0.011
local terms energy: -134.821345
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -41.281
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: 445
Temperature: 1.050000
Total energy: -466.774681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.774681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.774681 (E_RNA)
where:
Base-Base interactions energy: -328.519
where: short stacking energy: -146.403
Base-Backbone interact. energy: -1.065
local terms energy: -137.190796
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -28.173
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -45.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -431.361616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.361616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.361616 (E_RNA)
where:
Base-Base interactions energy: -300.102
where: short stacking energy: -135.020
Base-Backbone interact. energy: -0.526
local terms energy: -130.733631
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -26.603
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -33.234
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: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -404.797265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.797265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.797265 (E_RNA)
where:
Base-Base interactions energy: -275.422
where: short stacking energy: -130.657
Base-Backbone interact. energy: -0.749
local terms energy: -128.626611
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -28.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -398.797991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.797991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.797991 (E_RNA)
where:
Base-Base interactions energy: -269.733
where: short stacking energy: -119.568
Base-Backbone interact. energy: -0.444
local terms energy: -128.620718
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -28.521
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: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -342.732963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.732963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.732963 (E_RNA)
where:
Base-Base interactions energy: -236.014
where: short stacking energy: -94.964
Base-Backbone interact. energy: -0.700
local terms energy: -106.019412
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -14.797
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: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -285.169463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.169463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.169463 (E_RNA)
where:
Base-Base interactions energy: -184.765
where: short stacking energy: -88.473
Base-Backbone interact. energy: 0.487
local terms energy: -100.891943
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -294.229856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.229856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.229856 (E_RNA)
where:
Base-Base interactions energy: -189.933
where: short stacking energy: -89.506
Base-Backbone interact. energy: -0.250
local terms energy: -104.046277
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -498.419612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.419612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.419612 (E_RNA)
where:
Base-Base interactions energy: -349.312
where: short stacking energy: -160.483
Base-Backbone interact. energy: -0.604
local terms energy: -148.504203
where:
bonds (distance) C4'-P energy: -32.766
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -41.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -482.283212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.283212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.283212 (E_RNA)
where:
Base-Base interactions energy: -345.567
where: short stacking energy: -155.316
Base-Backbone interact. energy: -0.252
local terms energy: -136.464846
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -42.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -471.277877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.277877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.277877 (E_RNA)
where:
Base-Base interactions energy: -329.909
where: short stacking energy: -156.717
Base-Backbone interact. energy: 0.175
local terms energy: -141.543574
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -45.973
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: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -445.495022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.495022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.495022 (E_RNA)
where:
Base-Base interactions energy: -309.451
where: short stacking energy: -127.816
Base-Backbone interact. energy: -0.054
local terms energy: -135.989920
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -37.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -426.007011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.007011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.007011 (E_RNA)
where:
Base-Base interactions energy: -295.681
where: short stacking energy: -134.297
Base-Backbone interact. energy: -0.863
local terms energy: -129.462894
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -30.608
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: 446
Temperature: 1.150000
Total energy: -400.435371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.435371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.435371 (E_RNA)
where:
Base-Base interactions energy: -284.806
where: short stacking energy: -126.767
Base-Backbone interact. energy: -0.534
local terms energy: -115.095618
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -31.040
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: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -374.406037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.406037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.406037 (E_RNA)
where:
Base-Base interactions energy: -254.719
where: short stacking energy: -111.833
Base-Backbone interact. energy: -0.224
local terms energy: -119.462171
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -383.800457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.800457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.800457 (E_RNA)
where:
Base-Base interactions energy: -271.145
where: short stacking energy: -118.042
Base-Backbone interact. energy: 2.208
local terms energy: -114.864008
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -325.734124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.734124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.734124 (E_RNA)
where:
Base-Base interactions energy: -218.979
where: short stacking energy: -113.178
Base-Backbone interact. energy: 1.671
local terms energy: -108.426419
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -258.850477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.850477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.850477 (E_RNA)
where:
Base-Base interactions energy: -163.830
where: short stacking energy: -88.423
Base-Backbone interact. energy: 0.641
local terms energy: -95.661797
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -9.611
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: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -498.681821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.681821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.681821 (E_RNA)
where:
Base-Base interactions energy: -351.578
where: short stacking energy: -164.112
Base-Backbone interact. energy: -1.357
local terms energy: -145.747294
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -40.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -483.688735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.688735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.688735 (E_RNA)
where:
Base-Base interactions energy: -334.720
where: short stacking energy: -151.021
Base-Backbone interact. energy: -1.330
local terms energy: -147.638380
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -41.809
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: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -478.301005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.301005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.301005 (E_RNA)
where:
Base-Base interactions energy: -329.337
where: short stacking energy: -148.734
Base-Backbone interact. energy: -0.291
local terms energy: -148.673213
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -41.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -446.726383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.726383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.726383 (E_RNA)
where:
Base-Base interactions energy: -318.419
where: short stacking energy: -136.865
Base-Backbone interact. energy: 0.201
local terms energy: -128.508312
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -429.486131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.486131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.486131 (E_RNA)
where:
Base-Base interactions energy: -303.002
where: short stacking energy: -133.679
Base-Backbone interact. energy: -0.339
local terms energy: -126.145789
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -33.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -386.500527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.500527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.500527 (E_RNA)
where:
Base-Base interactions energy: -270.130
where: short stacking energy: -108.320
Base-Backbone interact. energy: -0.647
local terms energy: -115.723060
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -324.821160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.821160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.821160 (E_RNA)
where:
Base-Base interactions energy: -211.497
where: short stacking energy: -92.920
Base-Backbone interact. energy: -1.161
local terms energy: -112.163863
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -366.212046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.212046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.212046 (E_RNA)
where:
Base-Base interactions energy: -263.559
where: short stacking energy: -114.996
Base-Backbone interact. energy: 0.031
local terms energy: -102.684279
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -260.306360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.306360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.306360 (E_RNA)
where:
Base-Base interactions energy: -171.014
where: short stacking energy: -84.712
Base-Backbone interact. energy: 7.407
local terms energy: -96.699623
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -14.396
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: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -237.908525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.908525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.908525 (E_RNA)
where:
Base-Base interactions energy: -148.777
where: short stacking energy: -88.357
Base-Backbone interact. energy: -0.072
local terms energy: -89.059446
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -496.197768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.197768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.197768 (E_RNA)
where:
Base-Base interactions energy: -345.440
where: short stacking energy: -157.017
Base-Backbone interact. energy: 0.172
local terms energy: -150.930045
where:
bonds (distance) C4'-P energy: -29.761
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -41.537
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: 448
Temperature: 0.950000
Total energy: -491.242378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.242378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.242378 (E_RNA)
where:
Base-Base interactions energy: -331.532
where: short stacking energy: -160.674
Base-Backbone interact. energy: -1.525
local terms energy: -158.185327
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -33.008
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -481.011852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.011852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.011852 (E_RNA)
where:
Base-Base interactions energy: -334.184
where: short stacking energy: -144.285
Base-Backbone interact. energy: -0.018
local terms energy: -146.809896
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -42.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -451.323959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.323959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.323959 (E_RNA)
where:
Base-Base interactions energy: -314.232
where: short stacking energy: -134.606
Base-Backbone interact. energy: -0.093
local terms energy: -136.998442
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -32.315
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -35.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -421.743579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.743579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.743579 (E_RNA)
where:
Base-Base interactions energy: -294.890
where: short stacking energy: -140.720
Base-Backbone interact. energy: -0.260
local terms energy: -126.593605
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -24.226
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -35.382
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -414.397624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.397624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.397624 (E_RNA)
where:
Base-Base interactions energy: -285.477
where: short stacking energy: -128.316
Base-Backbone interact. energy: -1.550
local terms energy: -127.370594
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -36.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -423.616581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.616581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.616581 (E_RNA)
where:
Base-Base interactions energy: -301.678
where: short stacking energy: -131.415
Base-Backbone interact. energy: -0.027
local terms energy: -121.911689
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: -35.876
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: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -328.102594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.102594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.102594 (E_RNA)
where:
Base-Base interactions energy: -212.240
where: short stacking energy: -105.836
Base-Backbone interact. energy: 0.377
local terms energy: -116.239515
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -25.599
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: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -256.925397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.925397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.925397 (E_RNA)
where:
Base-Base interactions energy: -152.815
where: short stacking energy: -71.087
Base-Backbone interact. energy: -0.222
local terms energy: -103.887846
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -302.722621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.722621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.722621 (E_RNA)
where:
Base-Base interactions energy: -199.042
where: short stacking energy: -101.019
Base-Backbone interact. energy: 1.130
local terms energy: -104.810886
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -20.501
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -490.907435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.907435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.907435 (E_RNA)
where:
Base-Base interactions energy: -352.454
where: short stacking energy: -162.491
Base-Backbone interact. energy: -0.032
local terms energy: -138.422089
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -29.011
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -480.859821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.859821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.859821 (E_RNA)
where:
Base-Base interactions energy: -337.723
where: short stacking energy: -150.861
Base-Backbone interact. energy: -0.321
local terms energy: -142.815642
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -41.729
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: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -472.680401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.680401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.680401 (E_RNA)
where:
Base-Base interactions energy: -333.120
where: short stacking energy: -156.949
Base-Backbone interact. energy: -0.307
local terms energy: -139.253616
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -453.901040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.901040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.901040 (E_RNA)
where:
Base-Base interactions energy: -306.892
where: short stacking energy: -127.989
Base-Backbone interact. energy: -0.526
local terms energy: -146.483367
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -43.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -429.187797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.187797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.187797 (E_RNA)
where:
Base-Base interactions energy: -299.054
where: short stacking energy: -134.283
Base-Backbone interact. energy: -0.743
local terms energy: -129.391114
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -33.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -407.743480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.743480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.743480 (E_RNA)
where:
Base-Base interactions energy: -286.399
where: short stacking energy: -120.851
Base-Backbone interact. energy: -0.484
local terms energy: -120.860249
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -31.378
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: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -413.927771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.927771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.927771 (E_RNA)
where:
Base-Base interactions energy: -291.197
where: short stacking energy: -127.406
Base-Backbone interact. energy: -0.742
local terms energy: -121.988721
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -32.488
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: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -305.328418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.328418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.328418 (E_RNA)
where:
Base-Base interactions energy: -201.958
where: short stacking energy: -100.694
Base-Backbone interact. energy: 1.260
local terms energy: -104.630562
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -272.667473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.667473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.667473 (E_RNA)
where:
Base-Base interactions energy: -176.741
where: short stacking energy: -72.144
Base-Backbone interact. energy: -1.825
local terms energy: -94.101479
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -320.583365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.583365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.583365 (E_RNA)
where:
Base-Base interactions energy: -213.642
where: short stacking energy: -98.045
Base-Backbone interact. energy: -0.941
local terms energy: -106.000410
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -482.650719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.650719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.650719 (E_RNA)
where:
Base-Base interactions energy: -336.283
where: short stacking energy: -155.069
Base-Backbone interact. energy: -0.019
local terms energy: -146.348751
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -19.506
tors. eta vs tors. theta energy: -38.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -480.934333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.934333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.934333 (E_RNA)
where:
Base-Base interactions energy: -336.186
where: short stacking energy: -163.400
Base-Backbone interact. energy: -0.723
local terms energy: -144.024471
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -26.714
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -38.420
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: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -454.032473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.032473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.032473 (E_RNA)
where:
Base-Base interactions energy: -316.715
where: short stacking energy: -133.061
Base-Backbone interact. energy: -1.268
local terms energy: -136.049792
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -38.465
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -466.628427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.628427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.628427 (E_RNA)
where:
Base-Base interactions energy: -326.974
where: short stacking energy: -154.877
Base-Backbone interact. energy: -0.284
local terms energy: -139.370588
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -41.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -427.829878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.829878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.829878 (E_RNA)
where:
Base-Base interactions energy: -290.213
where: short stacking energy: -138.398
Base-Backbone interact. energy: -0.024
local terms energy: -137.593784
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -35.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -393.260128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.260128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.260128 (E_RNA)
where:
Base-Base interactions energy: -267.554
where: short stacking energy: -113.484
Base-Backbone interact. energy: 0.341
local terms energy: -126.047017
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -32.278
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: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -403.288901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.288901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.288901 (E_RNA)
where:
Base-Base interactions energy: -275.996
where: short stacking energy: -139.210
Base-Backbone interact. energy: -0.379
local terms energy: -126.914190
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -38.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -287.423404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.423404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.423404 (E_RNA)
where:
Base-Base interactions energy: -180.186
where: short stacking energy: -93.767
Base-Backbone interact. energy: -1.256
local terms energy: -105.981721
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -304.327427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.327427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.327427 (E_RNA)
where:
Base-Base interactions energy: -206.253
where: short stacking energy: -96.260
Base-Backbone interact. energy: 0.586
local terms energy: -98.660420
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -286.481584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.481584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.481584 (E_RNA)
where:
Base-Base interactions energy: -185.899
where: short stacking energy: -91.063
Base-Backbone interact. energy: -1.279
local terms energy: -99.303399
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -482.407279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.407279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.407279 (E_RNA)
where:
Base-Base interactions energy: -342.518
where: short stacking energy: -159.627
Base-Backbone interact. energy: -0.176
local terms energy: -139.712543
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -40.791
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: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -471.308799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.308799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.308799 (E_RNA)
where:
Base-Base interactions energy: -319.197
where: short stacking energy: -144.979
Base-Backbone interact. energy: -2.038
local terms energy: -150.073775
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -37.478
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: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -470.017200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.017200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.017200 (E_RNA)
where:
Base-Base interactions energy: -332.510
where: short stacking energy: -148.050
Base-Backbone interact. energy: -0.703
local terms energy: -136.804190
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -28.543
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -40.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -470.206266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.206266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.206266 (E_RNA)
where:
Base-Base interactions energy: -322.991
where: short stacking energy: -158.495
Base-Backbone interact. energy: -0.011
local terms energy: -147.204016
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -43.300
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: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -425.176073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.176073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.176073 (E_RNA)
where:
Base-Base interactions energy: -291.090
where: short stacking energy: -130.114
Base-Backbone interact. energy: -1.008
local terms energy: -133.077429
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -30.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -412.453013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.453013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.453013 (E_RNA)
where:
Base-Base interactions energy: -285.722
where: short stacking energy: -121.738
Base-Backbone interact. energy: 1.978
local terms energy: -128.708980
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -29.183
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -32.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -405.607645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.607645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.607645 (E_RNA)
where:
Base-Base interactions energy: -291.120
where: short stacking energy: -126.415
Base-Backbone interact. energy: -1.313
local terms energy: -113.173987
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -323.894775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.894775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.894775 (E_RNA)
where:
Base-Base interactions energy: -227.439
where: short stacking energy: -108.548
Base-Backbone interact. energy: -0.653
local terms energy: -95.803288
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -312.827373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.827373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.827373 (E_RNA)
where:
Base-Base interactions energy: -205.106
where: short stacking energy: -102.641
Base-Backbone interact. energy: 3.075
local terms energy: -110.796362
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -28.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -281.031282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.031282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.031282 (E_RNA)
where:
Base-Base interactions energy: -178.071
where: short stacking energy: -100.645
Base-Backbone interact. energy: -0.379
local terms energy: -102.581265
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -483.260536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.260536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.260536 (E_RNA)
where:
Base-Base interactions energy: -342.524
where: short stacking energy: -161.645
Base-Backbone interact. energy: -0.731
local terms energy: -140.005832
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -453.749507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.749507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.749507 (E_RNA)
where:
Base-Base interactions energy: -309.824
where: short stacking energy: -135.966
Base-Backbone interact. energy: -0.151
local terms energy: -143.773884
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -466.079584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.079584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.079584 (E_RNA)
where:
Base-Base interactions energy: -326.968
where: short stacking energy: -147.356
Base-Backbone interact. energy: -0.020
local terms energy: -139.091744
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -40.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -460.985077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.985077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.985077 (E_RNA)
where:
Base-Base interactions energy: -329.590
where: short stacking energy: -146.213
Base-Backbone interact. energy: -0.921
local terms energy: -130.473511
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -37.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -422.243961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.243961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.243961 (E_RNA)
where:
Base-Base interactions energy: -295.389
where: short stacking energy: -131.976
Base-Backbone interact. energy: -2.491
local terms energy: -124.364536
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -35.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -399.769591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.769591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.769591 (E_RNA)
where:
Base-Base interactions energy: -280.776
where: short stacking energy: -124.626
Base-Backbone interact. energy: -1.374
local terms energy: -117.620021
where:
bonds (distance) C4'-P energy: -26.309
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -30.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -384.317173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.317173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.317173 (E_RNA)
where:
Base-Base interactions energy: -268.498
where: short stacking energy: -118.044
Base-Backbone interact. energy: -0.775
local terms energy: -115.044881
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -25.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -326.998327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.998327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.998327 (E_RNA)
where:
Base-Base interactions energy: -201.805
where: short stacking energy: -95.915
Base-Backbone interact. energy: -1.074
local terms energy: -124.119330
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -266.531779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.531779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.531779 (E_RNA)
where:
Base-Base interactions energy: -164.798
where: short stacking energy: -75.445
Base-Backbone interact. energy: 0.399
local terms energy: -102.132752
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -292.247163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.247163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.247163 (E_RNA)
where:
Base-Base interactions energy: -182.214
where: short stacking energy: -85.965
Base-Backbone interact. energy: -0.951
local terms energy: -109.082236
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -496.567520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.567520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.567520 (E_RNA)
where:
Base-Base interactions energy: -339.133
where: short stacking energy: -159.912
Base-Backbone interact. energy: 0.464
local terms energy: -157.898551
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -45.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -476.850889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.850889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.850889 (E_RNA)
where:
Base-Base interactions energy: -331.022
where: short stacking energy: -149.982
Base-Backbone interact. energy: -1.170
local terms energy: -144.659423
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -42.396
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: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -451.824532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.824532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.824532 (E_RNA)
where:
Base-Base interactions energy: -311.953
where: short stacking energy: -134.506
Base-Backbone interact. energy: 1.507
local terms energy: -141.378342
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -440.240132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.240132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.240132 (E_RNA)
where:
Base-Base interactions energy: -302.443
where: short stacking energy: -135.344
Base-Backbone interact. energy: 0.842
local terms energy: -138.638467
where:
bonds (distance) C4'-P energy: -31.477
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -35.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -440.167950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.167950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.167950 (E_RNA)
where:
Base-Base interactions energy: -298.936
where: short stacking energy: -132.711
Base-Backbone interact. energy: -0.170
local terms energy: -141.061075
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -416.545967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.545967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.545967 (E_RNA)
where:
Base-Base interactions energy: -297.252
where: short stacking energy: -126.920
Base-Backbone interact. energy: -0.631
local terms energy: -118.662866
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -27.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -396.357876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.357876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.357876 (E_RNA)
where:
Base-Base interactions energy: -279.464
where: short stacking energy: -117.245
Base-Backbone interact. energy: -1.236
local terms energy: -115.657705
where:
bonds (distance) C4'-P energy: -25.746
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -24.181
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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -306.351967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.351967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.351967 (E_RNA)
where:
Base-Base interactions energy: -211.882
where: short stacking energy: -86.036
Base-Backbone interact. energy: 1.567
local terms energy: -96.037452
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -276.929732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.929732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.929732 (E_RNA)
where:
Base-Base interactions energy: -183.714
where: short stacking energy: -82.446
Base-Backbone interact. energy: -0.386
local terms energy: -92.829677
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -255.656772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.656772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.656772 (E_RNA)
where:
Base-Base interactions energy: -167.312
where: short stacking energy: -75.213
Base-Backbone interact. energy: 0.398
local terms energy: -88.742384
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -501.750636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.750636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.750636 (E_RNA)
where:
Base-Base interactions energy: -341.425
where: short stacking energy: -157.032
Base-Backbone interact. energy: -0.391
local terms energy: -159.935050
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -44.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -466.079684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.079684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.079684 (E_RNA)
where:
Base-Base interactions energy: -322.683
where: short stacking energy: -140.024
Base-Backbone interact. energy: -0.354
local terms energy: -143.042300
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -40.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -465.556105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.556105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.556105 (E_RNA)
where:
Base-Base interactions energy: -322.383
where: short stacking energy: -150.677
Base-Backbone interact. energy: -0.009
local terms energy: -143.164769
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -40.455
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: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -449.878513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.878513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.878513 (E_RNA)
where:
Base-Base interactions energy: -314.327
where: short stacking energy: -131.975
Base-Backbone interact. energy: -0.145
local terms energy: -135.406935
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -39.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -429.391256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.391256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.391256 (E_RNA)
where:
Base-Base interactions energy: -300.316
where: short stacking energy: -132.477
Base-Backbone interact. energy: -0.121
local terms energy: -128.953868
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -31.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -430.972605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.972605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.972605 (E_RNA)
where:
Base-Base interactions energy: -300.892
where: short stacking energy: -137.100
Base-Backbone interact. energy: -0.021
local terms energy: -130.059733
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -30.657
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: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -400.734560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.734560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.734560 (E_RNA)
where:
Base-Base interactions energy: -283.579
where: short stacking energy: -124.808
Base-Backbone interact. energy: -0.223
local terms energy: -116.933315
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -35.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -332.209548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.209548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.209548 (E_RNA)
where:
Base-Base interactions energy: -215.353
where: short stacking energy: -104.905
Base-Backbone interact. energy: -0.623
local terms energy: -116.233185
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -269.962641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.962641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.962641 (E_RNA)
where:
Base-Base interactions energy: -171.349
where: short stacking energy: -89.586
Base-Backbone interact. energy: -0.234
local terms energy: -98.379185
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -262.937120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.937120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.937120 (E_RNA)
where:
Base-Base interactions energy: -166.516
where: short stacking energy: -79.609
Base-Backbone interact. energy: 0.651
local terms energy: -97.072691
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -496.252243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.252243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.252243 (E_RNA)
where:
Base-Base interactions energy: -343.389
where: short stacking energy: -164.107
Base-Backbone interact. energy: -0.375
local terms energy: -152.488241
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -43.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -469.211740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.211740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.211740 (E_RNA)
where:
Base-Base interactions energy: -332.404
where: short stacking energy: -146.343
Base-Backbone interact. energy: 0.278
local terms energy: -137.085133
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -27.911
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -42.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -474.534184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.534184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.534184 (E_RNA)
where:
Base-Base interactions energy: -333.937
where: short stacking energy: -150.825
Base-Backbone interact. energy: -0.645
local terms energy: -139.952645
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -35.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -435.205087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.205087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.205087 (E_RNA)
where:
Base-Base interactions energy: -305.582
where: short stacking energy: -136.151
Base-Backbone interact. energy: -1.436
local terms energy: -128.186735
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -34.813
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: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -440.803666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.803666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.803666 (E_RNA)
where:
Base-Base interactions energy: -308.023
where: short stacking energy: -140.916
Base-Backbone interact. energy: -0.169
local terms energy: -132.612097
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -41.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -422.267005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.267005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.267005 (E_RNA)
where:
Base-Base interactions energy: -297.540
where: short stacking energy: -135.055
Base-Backbone interact. energy: -0.292
local terms energy: -124.434275
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -357.118686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.118686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.118686 (E_RNA)
where:
Base-Base interactions energy: -241.310
where: short stacking energy: -111.351
Base-Backbone interact. energy: -0.878
local terms energy: -114.930482
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -28.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -317.876888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.876888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.876888 (E_RNA)
where:
Base-Base interactions energy: -212.695
where: short stacking energy: -96.420
Base-Backbone interact. energy: -0.126
local terms energy: -105.056704
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -8.331
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: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -275.192510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.192510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.192510 (E_RNA)
where:
Base-Base interactions energy: -176.447
where: short stacking energy: -95.336
Base-Backbone interact. energy: -0.372
local terms energy: -98.373801
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -17.072
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -248.163204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.163204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.163204 (E_RNA)
where:
Base-Base interactions energy: -152.297
where: short stacking energy: -79.653
Base-Backbone interact. energy: 3.021
local terms energy: -98.886382
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -500.362086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.362086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.362086 (E_RNA)
where:
Base-Base interactions energy: -353.550
where: short stacking energy: -165.772
Base-Backbone interact. energy: 0.099
local terms energy: -146.911166
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -41.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -476.309230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.309230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.309230 (E_RNA)
where:
Base-Base interactions energy: -323.333
where: short stacking energy: -139.794
Base-Backbone interact. energy: 0.088
local terms energy: -153.065028
where:
bonds (distance) C4'-P energy: -30.555
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -42.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -454.546756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.546756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.546756 (E_RNA)
where:
Base-Base interactions energy: -312.896
where: short stacking energy: -150.317
Base-Backbone interact. energy: 0.581
local terms energy: -142.232351
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -448.900787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.900787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.900787 (E_RNA)
where:
Base-Base interactions energy: -313.137
where: short stacking energy: -135.668
Base-Backbone interact. energy: -0.264
local terms energy: -135.499049
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -28.677
flat angles C4'-P-C4' energy: -27.231
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -33.033
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: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -442.730789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.730789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.730789 (E_RNA)
where:
Base-Base interactions energy: -316.319
where: short stacking energy: -150.901
Base-Backbone interact. energy: -0.205
local terms energy: -126.206838
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -25.900
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -37.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -441.063780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.063780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.063780 (E_RNA)
where:
Base-Base interactions energy: -302.991
where: short stacking energy: -132.547
Base-Backbone interact. energy: -0.126
local terms energy: -137.946850
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -40.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -311.665873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.665873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.665873 (E_RNA)
where:
Base-Base interactions energy: -202.915
where: short stacking energy: -100.607
Base-Backbone interact. energy: -0.384
local terms energy: -108.366820
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -25.186
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: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -317.604663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.604663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.604663 (E_RNA)
where:
Base-Base interactions energy: -218.834
where: short stacking energy: -94.428
Base-Backbone interact. energy: 1.523
local terms energy: -100.294133
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -22.335
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: 456
Temperature: 1.300000
Total energy: -262.569123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.569123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.569123 (E_RNA)
where:
Base-Base interactions energy: -160.969
where: short stacking energy: -84.552
Base-Backbone interact. energy: 1.147
local terms energy: -102.747596
where:
bonds (distance) C4'-P energy: -26.129
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -16.470
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -221.367154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.367154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.367154 (E_RNA)
where:
Base-Base interactions energy: -138.383
where: short stacking energy: -74.029
Base-Backbone interact. energy: -1.201
local terms energy: -81.783454
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -15.668
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: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -492.949738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.949738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.949738 (E_RNA)
where:
Base-Base interactions energy: -340.807
where: short stacking energy: -159.237
Base-Backbone interact. energy: -0.454
local terms energy: -151.688737
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -44.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -463.288692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.288692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.288692 (E_RNA)
where:
Base-Base interactions energy: -326.486
where: short stacking energy: -151.004
Base-Backbone interact. energy: -2.339
local terms energy: -134.464163
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -35.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -468.777264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.777264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.777264 (E_RNA)
where:
Base-Base interactions energy: -328.046
where: short stacking energy: -141.151
Base-Backbone interact. energy: -1.722
local terms energy: -139.009705
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -40.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -468.850080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.850080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.850080 (E_RNA)
where:
Base-Base interactions energy: -329.154
where: short stacking energy: -145.240
Base-Backbone interact. energy: -0.385
local terms energy: -139.311259
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -40.669
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: 5, replica: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -406.870446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.870446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.870446 (E_RNA)
where:
Base-Base interactions energy: -283.398
where: short stacking energy: -118.391
Base-Backbone interact. energy: 0.592
local terms energy: -124.064630
where:
bonds (distance) C4'-P energy: -27.721
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -441.648965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.648965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.648965 (E_RNA)
where:
Base-Base interactions energy: -302.664
where: short stacking energy: -132.521
Base-Backbone interact. energy: -1.622
local terms energy: -137.362743
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -34.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -326.476593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.476593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.476593 (E_RNA)
where:
Base-Base interactions energy: -229.599
where: short stacking energy: -104.601
Base-Backbone interact. energy: -0.254
local terms energy: -96.623712
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -18.831
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: 457
Temperature: 1.250000
Total energy: -279.183396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.183396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.183396 (E_RNA)
where:
Base-Base interactions energy: -169.008
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.743
local terms energy: -109.432713
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -17.065
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: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -316.849586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.849586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.849586 (E_RNA)
where:
Base-Base interactions energy: -212.560
where: short stacking energy: -100.312
Base-Backbone interact. energy: -0.453
local terms energy: -103.835790
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -25.236
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: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -216.249650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.249650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249650 (E_RNA)
where:
Base-Base interactions energy: -126.804
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.429
local terms energy: -89.016287
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -478.299258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.299258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.299258 (E_RNA)
where:
Base-Base interactions energy: -331.157
where: short stacking energy: -151.393
Base-Backbone interact. energy: -0.088
local terms energy: -147.054017
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -42.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -477.690710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.690710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.690710 (E_RNA)
where:
Base-Base interactions energy: -328.714
where: short stacking energy: -156.821
Base-Backbone interact. energy: -0.027
local terms energy: -148.949820
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -41.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -480.395338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.395338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.395338 (E_RNA)
where:
Base-Base interactions energy: -332.498
where: short stacking energy: -155.711
Base-Backbone interact. energy: -0.611
local terms energy: -147.286018
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -41.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -447.570158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.570158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.570158 (E_RNA)
where:
Base-Base interactions energy: -315.201
where: short stacking energy: -136.227
Base-Backbone interact. energy: -0.746
local terms energy: -131.623200
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -38.104
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: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -414.380447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.380447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.380447 (E_RNA)
where:
Base-Base interactions energy: -296.357
where: short stacking energy: -126.032
Base-Backbone interact. energy: -0.606
local terms energy: -117.417363
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -30.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -431.880473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.880473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.880473 (E_RNA)
where:
Base-Base interactions energy: -298.526
where: short stacking energy: -142.382
Base-Backbone interact. energy: -0.124
local terms energy: -133.230101
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -35.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -362.906481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.906481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.906481 (E_RNA)
where:
Base-Base interactions energy: -248.906
where: short stacking energy: -105.527
Base-Backbone interact. energy: 0.413
local terms energy: -114.413760
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -285.047815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.047815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.047815 (E_RNA)
where:
Base-Base interactions energy: -174.362
where: short stacking energy: -93.083
Base-Backbone interact. energy: -0.343
local terms energy: -110.343127
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -22.729
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -316.883526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.883526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.883526 (E_RNA)
where:
Base-Base interactions energy: -226.059
where: short stacking energy: -98.652
Base-Backbone interact. energy: -0.713
local terms energy: -90.111336
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -236.810232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.810232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.810232 (E_RNA)
where:
Base-Base interactions energy: -140.527
where: short stacking energy: -75.895
Base-Backbone interact. energy: 1.717
local terms energy: -97.999529
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -475.360545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.360545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.360545 (E_RNA)
where:
Base-Base interactions energy: -328.445
where: short stacking energy: -146.340
Base-Backbone interact. energy: -0.091
local terms energy: -146.824067
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -29.600
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -43.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -472.323962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.323962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.323962 (E_RNA)
where:
Base-Base interactions energy: -328.333
where: short stacking energy: -155.350
Base-Backbone interact. energy: -0.415
local terms energy: -143.576312
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -42.588
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: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -496.348861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.348861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.348861 (E_RNA)
where:
Base-Base interactions energy: -346.164
where: short stacking energy: -165.218
Base-Backbone interact. energy: -0.432
local terms energy: -149.752482
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -43.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -459.840021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.840021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.840021 (E_RNA)
where:
Base-Base interactions energy: -318.646
where: short stacking energy: -138.708
Base-Backbone interact. energy: -1.949
local terms energy: -139.245106
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -40.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -418.718346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.718346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.718346 (E_RNA)
where:
Base-Base interactions energy: -293.307
where: short stacking energy: -123.975
Base-Backbone interact. energy: 1.583
local terms energy: -126.993971
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -29.820
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -430.782380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.782380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.782380 (E_RNA)
where:
Base-Base interactions energy: -298.207
where: short stacking energy: -143.800
Base-Backbone interact. energy: -0.078
local terms energy: -132.496818
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -35.419
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: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -384.885834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.885834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.885834 (E_RNA)
where:
Base-Base interactions energy: -270.175
where: short stacking energy: -118.205
Base-Backbone interact. energy: -0.535
local terms energy: -114.176220
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -269.079471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.079471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.079471 (E_RNA)
where:
Base-Base interactions energy: -172.666
where: short stacking energy: -79.701
Base-Backbone interact. energy: -0.085
local terms energy: -96.328637
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -308.058458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.058458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.058458 (E_RNA)
where:
Base-Base interactions energy: -229.779
where: short stacking energy: -88.799
Base-Backbone interact. energy: 0.772
local terms energy: -79.052123
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -8.011
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: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -255.268720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.268720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.268720 (E_RNA)
where:
Base-Base interactions energy: -157.746
where: short stacking energy: -66.831
Base-Backbone interact. energy: -2.347
local terms energy: -95.175226
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -5.103
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: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -492.183180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.183180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.183180 (E_RNA)
where:
Base-Base interactions energy: -334.399
where: short stacking energy: -145.195
Base-Backbone interact. energy: -0.852
local terms energy: -156.932142
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -40.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -460.860229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.860229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.860229 (E_RNA)
where:
Base-Base interactions energy: -324.066
where: short stacking energy: -148.399
Base-Backbone interact. energy: -0.363
local terms energy: -136.430703
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -39.886
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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -461.474693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.474693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.474693 (E_RNA)
where:
Base-Base interactions energy: -322.562
where: short stacking energy: -146.925
Base-Backbone interact. energy: -0.995
local terms energy: -137.918519
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -37.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -478.886193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.886193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.886193 (E_RNA)
where:
Base-Base interactions energy: -341.003
where: short stacking energy: -151.463
Base-Backbone interact. energy: -0.902
local terms energy: -136.981063
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -39.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -432.474261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.474261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.474261 (E_RNA)
where:
Base-Base interactions energy: -298.761
where: short stacking energy: -130.495
Base-Backbone interact. energy: -0.588
local terms energy: -133.125529
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -32.086
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -37.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -413.972254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.972254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.972254 (E_RNA)
where:
Base-Base interactions energy: -292.604
where: short stacking energy: -120.257
Base-Backbone interact. energy: -0.699
local terms energy: -120.669697
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -32.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -393.566105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.566105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.566105 (E_RNA)
where:
Base-Base interactions energy: -269.142
where: short stacking energy: -117.166
Base-Backbone interact. energy: -1.557
local terms energy: -122.866781
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -268.185614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.185614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.185614 (E_RNA)
where:
Base-Base interactions energy: -172.911
where: short stacking energy: -87.366
Base-Backbone interact. energy: -0.311
local terms energy: -94.963214
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -19.760
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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -303.973053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.973053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.973053 (E_RNA)
where:
Base-Base interactions energy: -205.532
where: short stacking energy: -101.172
Base-Backbone interact. energy: -0.989
local terms energy: -97.451302
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -10.407
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: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -238.080767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.080767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.080767 (E_RNA)
where:
Base-Base interactions energy: -148.627
where: short stacking energy: -72.965
Base-Backbone interact. energy: 3.861
local terms energy: -93.314735
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -6.996
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: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -495.475737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.475737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.475737 (E_RNA)
where:
Base-Base interactions energy: -345.084
where: short stacking energy: -157.420
Base-Backbone interact. energy: -0.309
local terms energy: -150.083180
where:
bonds (distance) C4'-P energy: -27.159
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -43.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -460.716845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.716845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.716845 (E_RNA)
where:
Base-Base interactions energy: -328.956
where: short stacking energy: -141.338
Base-Backbone interact. energy: -0.213
local terms energy: -131.548194
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -39.085
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: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -468.779259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.779259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.779259 (E_RNA)
where:
Base-Base interactions energy: -319.399
where: short stacking energy: -151.492
Base-Backbone interact. energy: -0.705
local terms energy: -148.674840
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -41.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -477.674015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.674015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.674015 (E_RNA)
where:
Base-Base interactions energy: -333.245
where: short stacking energy: -152.698
Base-Backbone interact. energy: -0.786
local terms energy: -143.642625
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -40.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -437.257292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.257292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.257292 (E_RNA)
where:
Base-Base interactions energy: -315.490
where: short stacking energy: -141.041
Base-Backbone interact. energy: -0.197
local terms energy: -121.570472
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -37.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -420.347309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.347309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.347309 (E_RNA)
where:
Base-Base interactions energy: -288.814
where: short stacking energy: -120.041
Base-Backbone interact. energy: 0.195
local terms energy: -131.728868
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -34.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -378.754831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.754831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.754831 (E_RNA)
where:
Base-Base interactions energy: -264.080
where: short stacking energy: -117.230
Base-Backbone interact. energy: -0.206
local terms energy: -114.468862
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -30.198
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: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -329.047930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.047930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.047930 (E_RNA)
where:
Base-Base interactions energy: -227.299
where: short stacking energy: -106.266
Base-Backbone interact. energy: -1.636
local terms energy: -100.113107
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -281.102324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.102324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.102324 (E_RNA)
where:
Base-Base interactions energy: -190.367
where: short stacking energy: -97.321
Base-Backbone interact. energy: -1.777
local terms energy: -88.957761
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -19.629
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: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -235.962155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.962155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.962155 (E_RNA)
where:
Base-Base interactions energy: -135.673
where: short stacking energy: -81.175
Base-Backbone interact. energy: -0.469
local terms energy: -99.820455
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -467.139719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.139719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.139719 (E_RNA)
where:
Base-Base interactions energy: -329.893
where: short stacking energy: -144.785
Base-Backbone interact. energy: -1.179
local terms energy: -136.067245
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -26.337
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -36.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -497.831573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.831573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.831573 (E_RNA)
where:
Base-Base interactions energy: -340.907
where: short stacking energy: -156.650
Base-Backbone interact. energy: -0.370
local terms energy: -156.554970
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -42.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -460.479964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.479964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.479964 (E_RNA)
where:
Base-Base interactions energy: -313.559
where: short stacking energy: -146.796
Base-Backbone interact. energy: -1.199
local terms energy: -145.722838
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -40.281
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: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -470.594748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.594748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.594748 (E_RNA)
where:
Base-Base interactions energy: -324.336
where: short stacking energy: -153.741
Base-Backbone interact. energy: -0.357
local terms energy: -145.901891
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -24.059
tors. eta vs tors. theta energy: -42.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -420.922428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.922428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.922428 (E_RNA)
where:
Base-Base interactions energy: -296.214
where: short stacking energy: -124.481
Base-Backbone interact. energy: -0.475
local terms energy: -124.233713
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -29.204
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: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -442.819088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.819088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.819088 (E_RNA)
where:
Base-Base interactions energy: -299.531
where: short stacking energy: -126.514
Base-Backbone interact. energy: -0.114
local terms energy: -143.173503
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -33.276
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -392.303962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.303962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.303962 (E_RNA)
where:
Base-Base interactions energy: -272.781
where: short stacking energy: -129.969
Base-Backbone interact. energy: 1.787
local terms energy: -121.310369
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -34.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -316.426353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.426353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.426353 (E_RNA)
where:
Base-Base interactions energy: -210.044
where: short stacking energy: -93.909
Base-Backbone interact. energy: -1.551
local terms energy: -104.830912
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -17.811
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: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -248.750858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.750858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.750858 (E_RNA)
where:
Base-Base interactions energy: -166.140
where: short stacking energy: -82.754
Base-Backbone interact. energy: -0.307
local terms energy: -82.303299
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -15.156
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: 462
Temperature: 1.350000
Total energy: -252.869407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.869407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.869407 (E_RNA)
where:
Base-Base interactions energy: -159.601
where: short stacking energy: -81.447
Base-Backbone interact. energy: -1.257
local terms energy: -92.011326
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -16.526
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: 463
Temperature: 0.900000
Total energy: -479.030173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.030173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.030173 (E_RNA)
where:
Base-Base interactions energy: -327.743
where: short stacking energy: -151.865
Base-Backbone interact. energy: -1.486
local terms energy: -149.800558
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -40.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -496.349534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.349534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.349534 (E_RNA)
where:
Base-Base interactions energy: -341.205
where: short stacking energy: -153.985
Base-Backbone interact. energy: -0.495
local terms energy: -154.648963
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -467.208368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.208368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.208368 (E_RNA)
where:
Base-Base interactions energy: -317.087
where: short stacking energy: -146.387
Base-Backbone interact. energy: -0.173
local terms energy: -149.948621
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -37.401
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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -425.311729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.311729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.311729 (E_RNA)
where:
Base-Base interactions energy: -302.868
where: short stacking energy: -117.604
Base-Backbone interact. energy: -0.767
local terms energy: -121.675773
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -26.228
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -457.463062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.463062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.463062 (E_RNA)
where:
Base-Base interactions energy: -318.935
where: short stacking energy: -155.606
Base-Backbone interact. energy: -0.015
local terms energy: -138.513703
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -36.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -432.579676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.579676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.579676 (E_RNA)
where:
Base-Base interactions energy: -298.271
where: short stacking energy: -139.863
Base-Backbone interact. energy: 0.005
local terms energy: -134.313755
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -36.261
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: 463
Temperature: 1.200000
Total energy: -376.410521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.410521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.410521 (E_RNA)
where:
Base-Base interactions energy: -261.321
where: short stacking energy: -120.212
Base-Backbone interact. energy: -0.826
local terms energy: -114.263512
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -26.391
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: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -313.771660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.771660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.771660 (E_RNA)
where:
Base-Base interactions energy: -208.575
where: short stacking energy: -106.097
Base-Backbone interact. energy: -0.334
local terms energy: -104.861944
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -250.263649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.263649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.263649 (E_RNA)
where:
Base-Base interactions energy: -157.564
where: short stacking energy: -72.974
Base-Backbone interact. energy: 0.569
local terms energy: -93.268415
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -226.805280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.805280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.805280 (E_RNA)
where:
Base-Base interactions energy: -145.311
where: short stacking energy: -71.162
Base-Backbone interact. energy: 0.280
local terms energy: -81.775018
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -487.006133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.006133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.006133 (E_RNA)
where:
Base-Base interactions energy: -342.250
where: short stacking energy: -148.362
Base-Backbone interact. energy: -1.055
local terms energy: -143.701347
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -40.503
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: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -490.191838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.191838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.191838 (E_RNA)
where:
Base-Base interactions energy: -342.214
where: short stacking energy: -164.783
Base-Backbone interact. energy: -1.454
local terms energy: -146.523585
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -41.358
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: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -436.055008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.055008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.055008 (E_RNA)
where:
Base-Base interactions energy: -315.406
where: short stacking energy: -126.554
Base-Backbone interact. energy: -1.002
local terms energy: -119.646955
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -456.424064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.424064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.424064 (E_RNA)
where:
Base-Base interactions energy: -314.713
where: short stacking energy: -150.238
Base-Backbone interact. energy: -0.396
local terms energy: -141.315458
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -469.507441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.507441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.507441 (E_RNA)
where:
Base-Base interactions energy: -338.523
where: short stacking energy: -152.994
Base-Backbone interact. energy: -0.023
local terms energy: -130.961202
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -42.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -441.203123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.203123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.203123 (E_RNA)
where:
Base-Base interactions energy: -318.012
where: short stacking energy: -135.435
Base-Backbone interact. energy: -0.504
local terms energy: -122.687398
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -36.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -392.694050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.694050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.694050 (E_RNA)
where:
Base-Base interactions energy: -264.523
where: short stacking energy: -107.146
Base-Backbone interact. energy: -0.923
local terms energy: -127.247779
where:
bonds (distance) C4'-P energy: -30.249
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -28.030
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -320.144798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.144798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.144798 (E_RNA)
where:
Base-Base interactions energy: -201.515
where: short stacking energy: -90.786
Base-Backbone interact. energy: -0.550
local terms energy: -118.079088
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -277.090074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.090074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.090074 (E_RNA)
where:
Base-Base interactions energy: -180.669
where: short stacking energy: -96.689
Base-Backbone interact. energy: -0.436
local terms energy: -95.985088
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -233.367206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.367206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.367206 (E_RNA)
where:
Base-Base interactions energy: -139.288
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.409
local terms energy: -93.670407
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -486.021077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.021077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.021077 (E_RNA)
where:
Base-Base interactions energy: -326.064
where: short stacking energy: -151.156
Base-Backbone interact. energy: -0.866
local terms energy: -159.091807
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -43.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -487.548323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.548323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.548323 (E_RNA)
where:
Base-Base interactions energy: -344.149
where: short stacking energy: -150.491
Base-Backbone interact. energy: -0.390
local terms energy: -143.008606
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -30.236
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -430.222781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.222781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.222781 (E_RNA)
where:
Base-Base interactions energy: -295.955
where: short stacking energy: -116.781
Base-Backbone interact. energy: 0.659
local terms energy: -134.926447
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -25.635
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: 465
Temperature: 1.050000
Total energy: -477.140634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.140634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.140634 (E_RNA)
where:
Base-Base interactions energy: -345.566
where: short stacking energy: -159.639
Base-Backbone interact. energy: -0.178
local terms energy: -131.396099
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -43.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -454.218858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.218858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.218858 (E_RNA)
where:
Base-Base interactions energy: -322.653
where: short stacking energy: -148.755
Base-Backbone interact. energy: -0.508
local terms energy: -131.057771
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -41.467
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: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -406.019161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.019161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.019161 (E_RNA)
where:
Base-Base interactions energy: -280.121
where: short stacking energy: -113.238
Base-Backbone interact. energy: -0.211
local terms energy: -125.686893
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -33.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -427.071057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.071057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.071057 (E_RNA)
where:
Base-Base interactions energy: -296.900
where: short stacking energy: -127.495
Base-Backbone interact. energy: -0.857
local terms energy: -129.313774
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -37.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -288.707896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.707896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.707896 (E_RNA)
where:
Base-Base interactions energy: -179.995
where: short stacking energy: -105.845
Base-Backbone interact. energy: 1.759
local terms energy: -110.472459
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -306.762294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.762294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.762294 (E_RNA)
where:
Base-Base interactions energy: -205.305
where: short stacking energy: -83.886
Base-Backbone interact. energy: -0.146
local terms energy: -101.311440
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -207.139908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.139908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.139908 (E_RNA)
where:
Base-Base interactions energy: -127.650
where: short stacking energy: -69.132
Base-Backbone interact. energy: -1.043
local terms energy: -78.446219
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -11.448
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: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -491.597743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.597743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.597743 (E_RNA)
where:
Base-Base interactions energy: -348.186
where: short stacking energy: -163.421
Base-Backbone interact. energy: -0.001
local terms energy: -143.411008
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -42.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -484.485811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.485811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.485811 (E_RNA)
where:
Base-Base interactions energy: -332.057
where: short stacking energy: -158.679
Base-Backbone interact. energy: -1.231
local terms energy: -151.198529
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -40.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -468.789868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.789868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.789868 (E_RNA)
where:
Base-Base interactions energy: -331.536
where: short stacking energy: -147.832
Base-Backbone interact. energy: -0.184
local terms energy: -137.070046
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -33.762
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: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -433.811768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.811768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.811768 (E_RNA)
where:
Base-Base interactions energy: -301.536
where: short stacking energy: -123.635
Base-Backbone interact. energy: -1.508
local terms energy: -130.767240
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -441.119906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.119906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.119906 (E_RNA)
where:
Base-Base interactions energy: -322.545
where: short stacking energy: -131.733
Base-Backbone interact. energy: 0.170
local terms energy: -118.744958
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -30.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -447.618029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.618029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.618029 (E_RNA)
where:
Base-Base interactions energy: -315.441
where: short stacking energy: -134.513
Base-Backbone interact. energy: -0.153
local terms energy: -132.023999
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -36.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -415.400386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.400386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.400386 (E_RNA)
where:
Base-Base interactions energy: -289.458
where: short stacking energy: -134.631
Base-Backbone interact. energy: -0.508
local terms energy: -125.434774
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -37.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -277.239995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.239995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.239995 (E_RNA)
where:
Base-Base interactions energy: -173.221
where: short stacking energy: -89.008
Base-Backbone interact. energy: 0.053
local terms energy: -104.072015
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -323.274394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.274394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.274394 (E_RNA)
where:
Base-Base interactions energy: -207.348
where: short stacking energy: -101.207
Base-Backbone interact. energy: -0.209
local terms energy: -115.717566
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -24.353
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: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -206.901386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.901386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.901386 (E_RNA)
where:
Base-Base interactions energy: -135.922
where: short stacking energy: -75.594
Base-Backbone interact. energy: 1.679
local terms energy: -72.658168
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -7.903
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: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -492.162643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.162643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.162643 (E_RNA)
where:
Base-Base interactions energy: -340.316
where: short stacking energy: -156.818
Base-Backbone interact. energy: -0.292
local terms energy: -151.554712
where:
bonds (distance) C4'-P energy: -30.653
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -41.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -478.127983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.127983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.127983 (E_RNA)
where:
Base-Base interactions energy: -339.577
where: short stacking energy: -151.835
Base-Backbone interact. energy: -1.214
local terms energy: -137.337317
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -43.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -473.710980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.710980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.710980 (E_RNA)
where:
Base-Base interactions energy: -329.960
where: short stacking energy: -140.156
Base-Backbone interact. energy: -0.907
local terms energy: -142.844377
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -39.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -456.928292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.928292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.928292 (E_RNA)
where:
Base-Base interactions energy: -326.662
where: short stacking energy: -134.165
Base-Backbone interact. energy: -0.899
local terms energy: -129.368000
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -33.217
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: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -413.131087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.131087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.131087 (E_RNA)
where:
Base-Base interactions energy: -282.731
where: short stacking energy: -127.075
Base-Backbone interact. energy: -0.605
local terms energy: -129.794745
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -35.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -437.386764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.386764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.386764 (E_RNA)
where:
Base-Base interactions energy: -311.970
where: short stacking energy: -131.860
Base-Backbone interact. energy: 1.011
local terms energy: -126.427986
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -35.374
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: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -425.748552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.748552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.748552 (E_RNA)
where:
Base-Base interactions energy: -311.045
where: short stacking energy: -143.748
Base-Backbone interact. energy: -1.241
local terms energy: -113.462460
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -34.950
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: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -338.569006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.569006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.569006 (E_RNA)
where:
Base-Base interactions energy: -227.256
where: short stacking energy: -122.596
Base-Backbone interact. energy: -0.542
local terms energy: -110.770653
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -31.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -266.430352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.430352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.430352 (E_RNA)
where:
Base-Base interactions energy: -168.147
where: short stacking energy: -98.695
Base-Backbone interact. energy: -0.367
local terms energy: -97.916466
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -25.376
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -232.613637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.613637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.613637 (E_RNA)
where:
Base-Base interactions energy: -155.446
where: short stacking energy: -70.316
Base-Backbone interact. energy: -0.997
local terms energy: -76.169846
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -485.724361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.724361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.724361 (E_RNA)
where:
Base-Base interactions energy: -342.750
where: short stacking energy: -150.714
Base-Backbone interact. energy: -0.197
local terms energy: -142.777325
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -41.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -489.064622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.064622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.064622 (E_RNA)
where:
Base-Base interactions energy: -348.297
where: short stacking energy: -156.225
Base-Backbone interact. energy: 1.248
local terms energy: -142.016437
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -41.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -464.057036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.057036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.057036 (E_RNA)
where:
Base-Base interactions energy: -319.631
where: short stacking energy: -141.690
Base-Backbone interact. energy: -0.370
local terms energy: -144.056102
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -43.293
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: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -476.265380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.265380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.265380 (E_RNA)
where:
Base-Base interactions energy: -332.560
where: short stacking energy: -136.897
Base-Backbone interact. energy: -0.856
local terms energy: -142.849027
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -34.708
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: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -416.765679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.765679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.765679 (E_RNA)
where:
Base-Base interactions energy: -282.602
where: short stacking energy: -130.410
Base-Backbone interact. energy: -1.486
local terms energy: -132.677817
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -433.302370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.302370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.302370 (E_RNA)
where:
Base-Base interactions energy: -305.459
where: short stacking energy: -132.942
Base-Backbone interact. energy: -0.315
local terms energy: -127.527933
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -41.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -425.542437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.542437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.542437 (E_RNA)
where:
Base-Base interactions energy: -287.424
where: short stacking energy: -137.587
Base-Backbone interact. energy: -0.142
local terms energy: -137.976674
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -37.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -342.301405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.301405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.301405 (E_RNA)
where:
Base-Base interactions energy: -229.279
where: short stacking energy: -99.792
Base-Backbone interact. energy: -1.264
local terms energy: -111.758570
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -268.454420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.454420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.454420 (E_RNA)
where:
Base-Base interactions energy: -167.234
where: short stacking energy: -77.699
Base-Backbone interact. energy: 3.398
local terms energy: -104.617874
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -247.227206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.227206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.227206 (E_RNA)
where:
Base-Base interactions energy: -149.036
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.752
local terms energy: -97.439382
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -15.833
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -500.493527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.493527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.493527 (E_RNA)
where:
Base-Base interactions energy: -354.664
where: short stacking energy: -149.738
Base-Backbone interact. energy: -0.466
local terms energy: -145.362803
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -41.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -481.468009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.468009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.468009 (E_RNA)
where:
Base-Base interactions energy: -343.607
where: short stacking energy: -149.933
Base-Backbone interact. energy: 0.562
local terms energy: -138.423211
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -467.691951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.691951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.691951 (E_RNA)
where:
Base-Base interactions energy: -325.454
where: short stacking energy: -143.938
Base-Backbone interact. energy: -0.145
local terms energy: -142.092806
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -463.366002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.366002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.366002 (E_RNA)
where:
Base-Base interactions energy: -344.724
where: short stacking energy: -141.825
Base-Backbone interact. energy: -0.768
local terms energy: -117.874152
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -33.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -441.135231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.135231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.135231 (E_RNA)
where:
Base-Base interactions energy: -311.419
where: short stacking energy: -139.442
Base-Backbone interact. energy: -0.110
local terms energy: -129.606517
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -30.316
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -36.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -416.843669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.843669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.843669 (E_RNA)
where:
Base-Base interactions energy: -287.424
where: short stacking energy: -128.237
Base-Backbone interact. energy: -0.756
local terms energy: -128.663402
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -30.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -455.085928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.085928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.085928 (E_RNA)
where:
Base-Base interactions energy: -322.407
where: short stacking energy: -143.513
Base-Backbone interact. energy: -0.863
local terms energy: -131.815551
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -37.180
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: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -323.929749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.929749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.929749 (E_RNA)
where:
Base-Base interactions energy: -207.834
where: short stacking energy: -92.804
Base-Backbone interact. energy: 0.144
local terms energy: -116.239649
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -27.503
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -19.611
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: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -270.719943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.719943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.719943 (E_RNA)
where:
Base-Base interactions energy: -175.173
where: short stacking energy: -94.360
Base-Backbone interact. energy: -0.194
local terms energy: -95.353113
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -250.676375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.676375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.676375 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -78.408
Base-Backbone interact. energy: 0.334
local terms energy: -83.314316
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -503.099035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.099035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.099035 (E_RNA)
where:
Base-Base interactions energy: -348.069
where: short stacking energy: -156.880
Base-Backbone interact. energy: -0.058
local terms energy: -154.972511
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: -45.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -486.395837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.395837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.395837 (E_RNA)
where:
Base-Base interactions energy: -333.967
where: short stacking energy: -154.308
Base-Backbone interact. energy: -0.924
local terms energy: -151.504873
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -40.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -467.978595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.978595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.978595 (E_RNA)
where:
Base-Base interactions energy: -335.450
where: short stacking energy: -147.819
Base-Backbone interact. energy: -0.580
local terms energy: -131.949072
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -39.387
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: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -455.493135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.493135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.493135 (E_RNA)
where:
Base-Base interactions energy: -319.283
where: short stacking energy: -136.630
Base-Backbone interact. energy: -0.010
local terms energy: -136.199663
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -454.344801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.344801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.344801 (E_RNA)
where:
Base-Base interactions energy: -319.707
where: short stacking energy: -148.252
Base-Backbone interact. energy: -0.126
local terms energy: -134.511655
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -40.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -429.270426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.270426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.270426 (E_RNA)
where:
Base-Base interactions energy: -297.701
where: short stacking energy: -137.671
Base-Backbone interact. energy: -0.004
local terms energy: -131.565699
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -35.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -425.115301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.115301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.115301 (E_RNA)
where:
Base-Base interactions energy: -292.876
where: short stacking energy: -130.636
Base-Backbone interact. energy: -0.002
local terms energy: -132.236518
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -35.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -349.215318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.215318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.215318 (E_RNA)
where:
Base-Base interactions energy: -237.703
where: short stacking energy: -96.564
Base-Backbone interact. energy: -0.170
local terms energy: -111.341896
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -271.973810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.973810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.973810 (E_RNA)
where:
Base-Base interactions energy: -163.536
where: short stacking energy: -85.248
Base-Backbone interact. energy: -0.254
local terms energy: -108.184124
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -244.554117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.554117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.554117 (E_RNA)
where:
Base-Base interactions energy: -155.543
where: short stacking energy: -81.889
Base-Backbone interact. energy: -0.113
local terms energy: -88.897978
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -8.781
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: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -491.572727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.572727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.572727 (E_RNA)
where:
Base-Base interactions energy: -346.870
where: short stacking energy: -160.865
Base-Backbone interact. energy: -0.437
local terms energy: -144.264843
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -462.600575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.600575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.600575 (E_RNA)
where:
Base-Base interactions energy: -313.801
where: short stacking energy: -139.868
Base-Backbone interact. energy: -0.284
local terms energy: -148.515708
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -28.095
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -38.536
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: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -473.496376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.496376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.496376 (E_RNA)
where:
Base-Base interactions energy: -342.128
where: short stacking energy: -143.465
Base-Backbone interact. energy: 1.943
local terms energy: -133.310999
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -39.271
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: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -461.365816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.365816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.365816 (E_RNA)
where:
Base-Base interactions energy: -318.775
where: short stacking energy: -147.881
Base-Backbone interact. energy: -0.181
local terms energy: -142.409576
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -43.477
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: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -443.400183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.400183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.400183 (E_RNA)
where:
Base-Base interactions energy: -310.692
where: short stacking energy: -131.714
Base-Backbone interact. energy: -0.285
local terms energy: -132.422625
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -25.650
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -36.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -435.837015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.837015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.837015 (E_RNA)
where:
Base-Base interactions energy: -309.399
where: short stacking energy: -132.912
Base-Backbone interact. energy: -0.945
local terms energy: -125.492720
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -36.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -399.535490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.535490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.535490 (E_RNA)
where:
Base-Base interactions energy: -282.331
where: short stacking energy: -126.840
Base-Backbone interact. energy: -0.872
local terms energy: -116.332770
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -342.739074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.739074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.739074 (E_RNA)
where:
Base-Base interactions energy: -218.183
where: short stacking energy: -96.026
Base-Backbone interact. energy: -0.657
local terms energy: -123.898666
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -31.286
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: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -251.682269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.682269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.682269 (E_RNA)
where:
Base-Base interactions energy: -164.321
where: short stacking energy: -91.389
Base-Backbone interact. energy: -0.132
local terms energy: -87.229562
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -17.098
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: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -290.714258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.714258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.714258 (E_RNA)
where:
Base-Base interactions energy: -188.111
where: short stacking energy: -84.728
Base-Backbone interact. energy: -0.143
local terms energy: -102.460697
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -19.688
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -494.714579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.714579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.714579 (E_RNA)
where:
Base-Base interactions energy: -353.234
where: short stacking energy: -157.451
Base-Backbone interact. energy: -0.848
local terms energy: -140.633027
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -38.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -480.492318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.492318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.492318 (E_RNA)
where:
Base-Base interactions energy: -335.574
where: short stacking energy: -152.052
Base-Backbone interact. energy: -0.262
local terms energy: -144.655731
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -477.531276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.531276 (E_RNA)
where:
Base-Base interactions energy: -332.742
where: short stacking energy: -160.404
Base-Backbone interact. energy: 1.289
local terms energy: -146.077573
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -44.107
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: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -458.680664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.680664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.680664 (E_RNA)
where:
Base-Base interactions energy: -320.356
where: short stacking energy: -142.066
Base-Backbone interact. energy: -0.175
local terms energy: -138.149788
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -37.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -471.989684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.989684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.989684 (E_RNA)
where:
Base-Base interactions energy: -332.624
where: short stacking energy: -158.996
Base-Backbone interact. energy: -1.092
local terms energy: -138.273228
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -39.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -429.061526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.061526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.061526 (E_RNA)
where:
Base-Base interactions energy: -298.137
where: short stacking energy: -132.398
Base-Backbone interact. energy: -0.011
local terms energy: -130.913448
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -37.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -362.244803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.244803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.244803 (E_RNA)
where:
Base-Base interactions energy: -242.701
where: short stacking energy: -109.851
Base-Backbone interact. energy: -1.492
local terms energy: -118.051494
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -350.914756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.914756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.914756 (E_RNA)
where:
Base-Base interactions energy: -247.305
where: short stacking energy: -101.457
Base-Backbone interact. energy: -1.123
local terms energy: -102.487101
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -313.150686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.150686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.150686 (E_RNA)
where:
Base-Base interactions energy: -205.090
where: short stacking energy: -105.317
Base-Backbone interact. energy: -0.432
local terms energy: -107.628748
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -243.751767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.751767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.751767 (E_RNA)
where:
Base-Base interactions energy: -148.024
where: short stacking energy: -78.151
Base-Backbone interact. energy: -0.416
local terms energy: -95.311558
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -16.615
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: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -484.454055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.454055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.454055 (E_RNA)
where:
Base-Base interactions energy: -343.977
where: short stacking energy: -151.901
Base-Backbone interact. energy: -0.067
local terms energy: -140.410506
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -39.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -474.875174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.875174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.875174 (E_RNA)
where:
Base-Base interactions energy: -330.698
where: short stacking energy: -158.177
Base-Backbone interact. energy: -0.373
local terms energy: -143.803887
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -46.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -468.872940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.872940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.872940 (E_RNA)
where:
Base-Base interactions energy: -328.251
where: short stacking energy: -149.618
Base-Backbone interact. energy: -0.026
local terms energy: -140.596357
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -40.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -465.664438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.664438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.664438 (E_RNA)
where:
Base-Base interactions energy: -332.373
where: short stacking energy: -143.246
Base-Backbone interact. energy: 1.374
local terms energy: -134.664697
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -36.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -453.805742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.805742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.805742 (E_RNA)
where:
Base-Base interactions energy: -320.213
where: short stacking energy: -145.791
Base-Backbone interact. energy: -0.967
local terms energy: -132.625332
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -440.887236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.887236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.887236 (E_RNA)
where:
Base-Base interactions energy: -308.693
where: short stacking energy: -142.149
Base-Backbone interact. energy: -0.009
local terms energy: -132.185424
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -331.887289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.887289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.887289 (E_RNA)
where:
Base-Base interactions energy: -219.565
where: short stacking energy: -114.758
Base-Backbone interact. energy: 2.270
local terms energy: -114.592088
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -28.672
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: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -354.954224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.954224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.954224 (E_RNA)
where:
Base-Base interactions energy: -235.524
where: short stacking energy: -119.369
Base-Backbone interact. energy: -0.379
local terms energy: -119.050660
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -27.969
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -22.395
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: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -282.421788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.421788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.421788 (E_RNA)
where:
Base-Base interactions energy: -185.143
where: short stacking energy: -101.801
Base-Backbone interact. energy: -0.466
local terms energy: -96.812871
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -255.611516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.611516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.611516 (E_RNA)
where:
Base-Base interactions energy: -161.179
where: short stacking energy: -81.463
Base-Backbone interact. energy: -1.031
local terms energy: -93.400638
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -6.045
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: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -484.985713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.985713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.985713 (E_RNA)
where:
Base-Base interactions energy: -323.133
where: short stacking energy: -148.947
Base-Backbone interact. energy: -0.781
local terms energy: -161.072342
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -43.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -480.277729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.277729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.277729 (E_RNA)
where:
Base-Base interactions energy: -343.794
where: short stacking energy: -149.389
Base-Backbone interact. energy: 0.882
local terms energy: -137.365924
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -465.619777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.619777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.619777 (E_RNA)
where:
Base-Base interactions energy: -342.600
where: short stacking energy: -144.985
Base-Backbone interact. energy: -0.130
local terms energy: -122.889413
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -450.540694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.540694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.540694 (E_RNA)
where:
Base-Base interactions energy: -317.881
where: short stacking energy: -133.409
Base-Backbone interact. energy: -0.549
local terms energy: -132.110876
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -34.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -443.900325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.900325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.900325 (E_RNA)
where:
Base-Base interactions energy: -305.670
where: short stacking energy: -133.599
Base-Backbone interact. energy: -1.605
local terms energy: -136.625150
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -36.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -444.404536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.404536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.404536 (E_RNA)
where:
Base-Base interactions energy: -318.273
where: short stacking energy: -140.539
Base-Backbone interact. energy: -0.751
local terms energy: -125.380655
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -35.684
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: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -357.885979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.885979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.885979 (E_RNA)
where:
Base-Base interactions energy: -233.720
where: short stacking energy: -101.164
Base-Backbone interact. energy: 1.248
local terms energy: -125.414687
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -28.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -322.118407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.118407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.118407 (E_RNA)
where:
Base-Base interactions energy: -197.607
where: short stacking energy: -110.201
Base-Backbone interact. energy: -1.390
local terms energy: -123.121947
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -28.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -260.342005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.342005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.342005 (E_RNA)
where:
Base-Base interactions energy: -163.784
where: short stacking energy: -86.001
Base-Backbone interact. energy: -0.200
local terms energy: -96.358570
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -258.203628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.203628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.203628 (E_RNA)
where:
Base-Base interactions energy: -170.988
where: short stacking energy: -89.507
Base-Backbone interact. energy: 3.346
local terms energy: -90.561703
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -15.872
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: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -484.467862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.467862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.467862 (E_RNA)
where:
Base-Base interactions energy: -329.810
where: short stacking energy: -154.354
Base-Backbone interact. energy: -1.194
local terms energy: -153.463812
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -40.076
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: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -476.200904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.200904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.200904 (E_RNA)
where:
Base-Base interactions energy: -334.155
where: short stacking energy: -135.528
Base-Backbone interact. energy: -0.383
local terms energy: -141.662743
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -28.834
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -36.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -473.379597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.379597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.379597 (E_RNA)
where:
Base-Base interactions energy: -335.819
where: short stacking energy: -155.405
Base-Backbone interact. energy: -0.165
local terms energy: -137.395464
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -40.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -450.651875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.651875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.651875 (E_RNA)
where:
Base-Base interactions energy: -312.608
where: short stacking energy: -137.195
Base-Backbone interact. energy: -0.781
local terms energy: -137.263443
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -35.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -441.690562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.690562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.690562 (E_RNA)
where:
Base-Base interactions energy: -320.203
where: short stacking energy: -129.495
Base-Backbone interact. energy: -0.254
local terms energy: -121.233876
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -32.452
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: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -460.645031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.645031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.645031 (E_RNA)
where:
Base-Base interactions energy: -320.460
where: short stacking energy: -155.906
Base-Backbone interact. energy: 1.343
local terms energy: -141.528447
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -41.016
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: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -365.718616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.718616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.718616 (E_RNA)
where:
Base-Base interactions energy: -243.612
where: short stacking energy: -112.406
Base-Backbone interact. energy: 1.093
local terms energy: -123.199518
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -323.409507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.409507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.409507 (E_RNA)
where:
Base-Base interactions energy: -221.449
where: short stacking energy: -102.322
Base-Backbone interact. energy: -0.161
local terms energy: -101.799785
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -288.680625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.680625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.680625 (E_RNA)
where:
Base-Base interactions energy: -189.888
where: short stacking energy: -96.753
Base-Backbone interact. energy: -0.757
local terms energy: -98.034985
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -267.522518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.522518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.522518 (E_RNA)
where:
Base-Base interactions energy: -175.785
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.119
local terms energy: -91.618858
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -10.846
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: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -483.519299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.519299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.519299 (E_RNA)
where:
Base-Base interactions energy: -338.209
where: short stacking energy: -155.619
Base-Backbone interact. energy: -0.069
local terms energy: -145.241418
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -476.803127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.803127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.803127 (E_RNA)
where:
Base-Base interactions energy: -335.890
where: short stacking energy: -152.952
Base-Backbone interact. energy: -0.410
local terms energy: -140.502471
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -33.536
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -42.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -467.600791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.600791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.600791 (E_RNA)
where:
Base-Base interactions energy: -330.753
where: short stacking energy: -138.880
Base-Backbone interact. energy: -0.109
local terms energy: -136.738465
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -28.497
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -439.195389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.195389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.195389 (E_RNA)
where:
Base-Base interactions energy: -314.516
where: short stacking energy: -133.755
Base-Backbone interact. energy: -0.345
local terms energy: -124.334693
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -33.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -459.015369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.015369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.015369 (E_RNA)
where:
Base-Base interactions energy: -334.618
where: short stacking energy: -149.171
Base-Backbone interact. energy: -1.004
local terms energy: -123.393457
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -40.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -451.458610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.458610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.458610 (E_RNA)
where:
Base-Base interactions energy: -322.821
where: short stacking energy: -140.338
Base-Backbone interact. energy: -0.055
local terms energy: -128.582204
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -39.321
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -355.521251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.521251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.521251 (E_RNA)
where:
Base-Base interactions energy: -234.362
where: short stacking energy: -117.645
Base-Backbone interact. energy: -1.989
local terms energy: -119.169854
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -283.779425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.779425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.779425 (E_RNA)
where:
Base-Base interactions energy: -168.044
where: short stacking energy: -88.704
Base-Backbone interact. energy: -0.180
local terms energy: -115.555601
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -31.127
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -296.883338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.883338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.883338 (E_RNA)
where:
Base-Base interactions energy: -197.422
where: short stacking energy: -94.406
Base-Backbone interact. energy: -0.689
local terms energy: -98.772526
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -28.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -304.718596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.718596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.718596 (E_RNA)
where:
Base-Base interactions energy: -203.394
where: short stacking energy: -90.339
Base-Backbone interact. energy: -0.062
local terms energy: -101.262029
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -9.961
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -470.071193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.071193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.071193 (E_RNA)
where:
Base-Base interactions energy: -326.938
where: short stacking energy: -153.721
Base-Backbone interact. energy: -0.337
local terms energy: -142.795799
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -38.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -483.904004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.904004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.904004 (E_RNA)
where:
Base-Base interactions energy: -339.456
where: short stacking energy: -146.979
Base-Backbone interact. energy: -0.512
local terms energy: -143.935375
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -468.037632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.037632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.037632 (E_RNA)
where:
Base-Base interactions energy: -318.659
where: short stacking energy: -156.477
Base-Backbone interact. energy: -0.086
local terms energy: -149.293288
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -45.426
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: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -462.053495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.053495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.053495 (E_RNA)
where:
Base-Base interactions energy: -319.968
where: short stacking energy: -153.575
Base-Backbone interact. energy: -0.135
local terms energy: -141.950191
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -40.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -436.383535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.383535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.383535 (E_RNA)
where:
Base-Base interactions energy: -303.420
where: short stacking energy: -133.401
Base-Backbone interact. energy: -0.286
local terms energy: -132.678155
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -35.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -435.249109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.249109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.249109 (E_RNA)
where:
Base-Base interactions energy: -306.458
where: short stacking energy: -126.179
Base-Backbone interact. energy: -0.563
local terms energy: -128.228413
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -35.778
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: 477
Temperature: 1.200000
Total energy: -372.696583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.696583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.696583 (E_RNA)
where:
Base-Base interactions energy: -252.220
where: short stacking energy: -113.995
Base-Backbone interact. energy: 0.066
local terms energy: -120.542103
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -32.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -320.183924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.183924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.183924 (E_RNA)
where:
Base-Base interactions energy: -221.274
where: short stacking energy: -104.666
Base-Backbone interact. energy: -0.462
local terms energy: -98.448453
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -24.215
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: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -254.787479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.787479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.787479 (E_RNA)
where:
Base-Base interactions energy: -155.456
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.623
local terms energy: -98.708474
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -302.146107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.146107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.146107 (E_RNA)
where:
Base-Base interactions energy: -205.161
where: short stacking energy: -98.321
Base-Backbone interact. energy: -0.177
local terms energy: -96.808271
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -24.301
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: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -491.204382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.204382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.204382 (E_RNA)
where:
Base-Base interactions energy: -347.692
where: short stacking energy: -160.556
Base-Backbone interact. energy: -1.056
local terms energy: -142.456994
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -39.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -494.690181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.690181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.690181 (E_RNA)
where:
Base-Base interactions energy: -352.880
where: short stacking energy: -162.670
Base-Backbone interact. energy: -0.832
local terms energy: -140.977199
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -463.310052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.310052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.310052 (E_RNA)
where:
Base-Base interactions energy: -326.319
where: short stacking energy: -145.462
Base-Backbone interact. energy: -0.179
local terms energy: -136.812206
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -37.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -475.185804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.185804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.185804 (E_RNA)
where:
Base-Base interactions energy: -324.626
where: short stacking energy: -147.366
Base-Backbone interact. energy: -0.470
local terms energy: -150.090178
where:
bonds (distance) C4'-P energy: -28.055
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -45.055
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: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -450.998299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.998299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.998299 (E_RNA)
where:
Base-Base interactions energy: -315.879
where: short stacking energy: -141.383
Base-Backbone interact. energy: -0.076
local terms energy: -135.044007
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -420.114127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.114127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.114127 (E_RNA)
where:
Base-Base interactions energy: -293.976
where: short stacking energy: -127.678
Base-Backbone interact. energy: -0.009
local terms energy: -126.129302
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -34.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -358.065842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.065842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.065842 (E_RNA)
where:
Base-Base interactions energy: -248.572
where: short stacking energy: -115.438
Base-Backbone interact. energy: -0.546
local terms energy: -108.947333
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -319.516503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.516503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.516503 (E_RNA)
where:
Base-Base interactions energy: -206.412
where: short stacking energy: -101.732
Base-Backbone interact. energy: -0.191
local terms energy: -112.913407
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -27.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -307.898496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.898496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.898496 (E_RNA)
where:
Base-Base interactions energy: -204.541
where: short stacking energy: -103.356
Base-Backbone interact. energy: -0.430
local terms energy: -102.928124
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -27.706
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -240.902676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.902676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.902676 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -62.389
Base-Backbone interact. energy: 4.392
local terms energy: -99.884543
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -488.539707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.539707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.539707 (E_RNA)
where:
Base-Base interactions energy: -348.139
where: short stacking energy: -145.649
Base-Backbone interact. energy: -0.528
local terms energy: -139.872447
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -31.355
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -36.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -469.117114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.117114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.117114 (E_RNA)
where:
Base-Base interactions energy: -337.808
where: short stacking energy: -159.476
Base-Backbone interact. energy: -0.031
local terms energy: -131.277863
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -37.668
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: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -453.138558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.138558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.138558 (E_RNA)
where:
Base-Base interactions energy: -308.366
where: short stacking energy: -148.673
Base-Backbone interact. energy: -0.347
local terms energy: -144.424888
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -34.752
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: 479
Temperature: 1.050000
Total energy: -467.185063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.185063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.185063 (E_RNA)
where:
Base-Base interactions energy: -319.380
where: short stacking energy: -144.722
Base-Backbone interact. energy: -0.046
local terms energy: -147.759455
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -42.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -463.642161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.642161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.642161 (E_RNA)
where:
Base-Base interactions energy: -318.156
where: short stacking energy: -152.843
Base-Backbone interact. energy: -0.001
local terms energy: -145.485185
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -28.190
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -42.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -433.491095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.491095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.491095 (E_RNA)
where:
Base-Base interactions energy: -295.104
where: short stacking energy: -121.082
Base-Backbone interact. energy: -0.267
local terms energy: -138.120348
where:
bonds (distance) C4'-P energy: -23.883
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -37.279
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: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -343.444897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.444897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.444897 (E_RNA)
where:
Base-Base interactions energy: -227.828
where: short stacking energy: -105.146
Base-Backbone interact. energy: 1.194
local terms energy: -116.810679
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -23.342
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -324.569504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.569504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.569504 (E_RNA)
where:
Base-Base interactions energy: -218.040
where: short stacking energy: -113.543
Base-Backbone interact. energy: 0.661
local terms energy: -107.190912
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -285.810750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.810750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.810750 (E_RNA)
where:
Base-Base interactions energy: -181.053
where: short stacking energy: -87.565
Base-Backbone interact. energy: 0.098
local terms energy: -104.855595
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -252.735759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.735759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.735759 (E_RNA)
where:
Base-Base interactions energy: -164.314
where: short stacking energy: -86.543
Base-Backbone interact. energy: 0.352
local terms energy: -88.773577
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -499.055459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.055459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.055459 (E_RNA)
where:
Base-Base interactions energy: -347.030
where: short stacking energy: -151.112
Base-Backbone interact. energy: -0.130
local terms energy: -151.894993
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -42.368
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: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -483.009504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.009504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.009504 (E_RNA)
where:
Base-Base interactions energy: -336.284
where: short stacking energy: -161.231
Base-Backbone interact. energy: -0.329
local terms energy: -146.396158
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -44.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -475.859066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.859066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.859066 (E_RNA)
where:
Base-Base interactions energy: -328.054
where: short stacking energy: -153.198
Base-Backbone interact. energy: -0.819
local terms energy: -146.986298
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -41.982
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: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -475.843705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.843705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.843705 (E_RNA)
where:
Base-Base interactions energy: -320.606
where: short stacking energy: -144.343
Base-Backbone interact. energy: -1.113
local terms energy: -154.125008
where:
bonds (distance) C4'-P energy: -24.914
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -418.303981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.303981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.303981 (E_RNA)
where:
Base-Base interactions energy: -288.010
where: short stacking energy: -121.742
Base-Backbone interact. energy: -1.633
local terms energy: -128.660990
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -27.707
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -29.653
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: 480
Temperature: 1.150000
Total energy: -447.007417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.007417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.007417 (E_RNA)
where:
Base-Base interactions energy: -309.229
where: short stacking energy: -138.743
Base-Backbone interact. energy: -1.837
local terms energy: -135.941362
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -39.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -360.594018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.594018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.594018 (E_RNA)
where:
Base-Base interactions energy: -241.193
where: short stacking energy: -119.181
Base-Backbone interact. energy: 0.134
local terms energy: -119.534742
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -35.719
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: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -346.383240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.383240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.383240 (E_RNA)
where:
Base-Base interactions energy: -232.260
where: short stacking energy: -103.738
Base-Backbone interact. energy: 0.087
local terms energy: -114.210887
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -26.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -300.449583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.449583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.449583 (E_RNA)
where:
Base-Base interactions energy: -194.768
where: short stacking energy: -90.189
Base-Backbone interact. energy: -0.406
local terms energy: -105.275435
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -235.044476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.044476 (E_RNA)
where:
Base-Base interactions energy: -142.910
where: short stacking energy: -78.242
Base-Backbone interact. energy: -0.821
local terms energy: -91.313539
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -489.888909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.888909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.888909 (E_RNA)
where:
Base-Base interactions energy: -347.922
where: short stacking energy: -150.735
Base-Backbone interact. energy: -0.523
local terms energy: -141.443722
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -38.773
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -480.939394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.939394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.939394 (E_RNA)
where:
Base-Base interactions energy: -331.227
where: short stacking energy: -156.893
Base-Backbone interact. energy: -1.172
local terms energy: -148.540666
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -43.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -477.292627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.292627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.292627 (E_RNA)
where:
Base-Base interactions energy: -338.416
where: short stacking energy: -150.497
Base-Backbone interact. energy: -0.229
local terms energy: -138.646981
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -38.679
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: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -437.360910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.360910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.360910 (E_RNA)
where:
Base-Base interactions energy: -298.817
where: short stacking energy: -128.998
Base-Backbone interact. energy: -0.390
local terms energy: -138.153840
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -36.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -459.585012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.585012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.585012 (E_RNA)
where:
Base-Base interactions energy: -320.218
where: short stacking energy: -149.513
Base-Backbone interact. energy: -0.027
local terms energy: -139.339723
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -39.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -456.864789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.864789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.864789 (E_RNA)
where:
Base-Base interactions energy: -319.303
where: short stacking energy: -144.188
Base-Backbone interact. energy: -0.584
local terms energy: -136.977661
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -43.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -349.436627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.436627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.436627 (E_RNA)
where:
Base-Base interactions energy: -236.071
where: short stacking energy: -114.134
Base-Backbone interact. energy: -1.003
local terms energy: -112.361984
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -25.977
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: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -336.118606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.118606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.118606 (E_RNA)
where:
Base-Base interactions energy: -228.241
where: short stacking energy: -116.193
Base-Backbone interact. energy: 0.334
local terms energy: -108.211412
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -28.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -301.818805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.818805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.818805 (E_RNA)
where:
Base-Base interactions energy: -192.629
where: short stacking energy: -87.576
Base-Backbone interact. energy: -0.838
local terms energy: -108.352207
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -232.518764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.518764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.518764 (E_RNA)
where:
Base-Base interactions energy: -147.853
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.506
local terms energy: -84.159195
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -10.562
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: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -500.585606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.585606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.585606 (E_RNA)
where:
Base-Base interactions energy: -347.268
where: short stacking energy: -160.372
Base-Backbone interact. energy: -0.032
local terms energy: -153.285674
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -33.778
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -45.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -483.343714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.343714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.343714 (E_RNA)
where:
Base-Base interactions energy: -335.049
where: short stacking energy: -151.607
Base-Backbone interact. energy: -0.540
local terms energy: -147.754406
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -41.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -478.054793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.054793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.054793 (E_RNA)
where:
Base-Base interactions energy: -335.136
where: short stacking energy: -162.447
Base-Backbone interact. energy: -0.065
local terms energy: -142.854306
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -38.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -436.536245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.536245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.536245 (E_RNA)
where:
Base-Base interactions energy: -300.783
where: short stacking energy: -127.033
Base-Backbone interact. energy: -0.500
local terms energy: -135.253807
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -37.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -456.824892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.824892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.824892 (E_RNA)
where:
Base-Base interactions energy: -316.673
where: short stacking energy: -148.485
Base-Backbone interact. energy: -0.595
local terms energy: -139.556959
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -40.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -441.744801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.744801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.744801 (E_RNA)
where:
Base-Base interactions energy: -317.120
where: short stacking energy: -132.067
Base-Backbone interact. energy: -0.449
local terms energy: -124.175595
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -39.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -368.846632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.846632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.846632 (E_RNA)
where:
Base-Base interactions energy: -263.625
where: short stacking energy: -116.213
Base-Backbone interact. energy: 0.518
local terms energy: -105.739926
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -323.663498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.663498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.663498 (E_RNA)
where:
Base-Base interactions energy: -217.739
where: short stacking energy: -99.527
Base-Backbone interact. energy: -0.138
local terms energy: -105.785728
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -275.786517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.786517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.786517 (E_RNA)
where:
Base-Base interactions energy: -164.008
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.314
local terms energy: -111.464587
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -266.571502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.571502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.571502 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -79.269
Base-Backbone interact. energy: 1.843
local terms energy: -100.257611
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -490.353086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.353086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.353086 (E_RNA)
where:
Base-Base interactions energy: -339.602
where: short stacking energy: -159.071
Base-Backbone interact. energy: -0.006
local terms energy: -150.744717
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -43.484
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: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -478.926299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.926299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.926299 (E_RNA)
where:
Base-Base interactions energy: -338.508
where: short stacking energy: -151.258
Base-Backbone interact. energy: -0.073
local terms energy: -140.345758
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -39.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -479.099387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.099387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.099387 (E_RNA)
where:
Base-Base interactions energy: -329.657
where: short stacking energy: -157.364
Base-Backbone interact. energy: -0.618
local terms energy: -148.824990
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -30.528
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -41.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -459.503739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.503739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.503739 (E_RNA)
where:
Base-Base interactions energy: -320.801
where: short stacking energy: -150.698
Base-Backbone interact. energy: -2.208
local terms energy: -136.494974
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -434.302139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.302139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.302139 (E_RNA)
where:
Base-Base interactions energy: -304.435
where: short stacking energy: -133.241
Base-Backbone interact. energy: -0.117
local terms energy: -129.750113
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -456.746044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.746044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.746044 (E_RNA)
where:
Base-Base interactions energy: -324.201
where: short stacking energy: -142.977
Base-Backbone interact. energy: -0.608
local terms energy: -131.937056
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -39.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -352.474717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.474717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.474717 (E_RNA)
where:
Base-Base interactions energy: -240.627
where: short stacking energy: -104.285
Base-Backbone interact. energy: -0.408
local terms energy: -111.440032
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -338.275726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.275726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.275726 (E_RNA)
where:
Base-Base interactions energy: -235.121
where: short stacking energy: -107.647
Base-Backbone interact. energy: -0.613
local terms energy: -102.541467
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -255.350728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.350728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.350728 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -71.783
Base-Backbone interact. energy: -1.454
local terms energy: -92.080624
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -263.106608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.106608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.106608 (E_RNA)
where:
Base-Base interactions energy: -175.040
where: short stacking energy: -90.675
Base-Backbone interact. energy: -0.678
local terms energy: -87.389304
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -12.997
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: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -483.340944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.340944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.340944 (E_RNA)
where:
Base-Base interactions energy: -339.728
where: short stacking energy: -154.677
Base-Backbone interact. energy: -0.419
local terms energy: -143.193725
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -42.484
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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -480.853678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.853678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.853678 (E_RNA)
where:
Base-Base interactions energy: -335.505
where: short stacking energy: -151.769
Base-Backbone interact. energy: -0.754
local terms energy: -144.594310
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -39.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -466.512414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.512414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.512414 (E_RNA)
where:
Base-Base interactions energy: -325.014
where: short stacking energy: -149.886
Base-Backbone interact. energy: -0.162
local terms energy: -141.336830
where:
bonds (distance) C4'-P energy: -28.130
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -39.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -458.997617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.997617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.997617 (E_RNA)
where:
Base-Base interactions energy: -315.897
where: short stacking energy: -137.849
Base-Backbone interact. energy: -1.974
local terms energy: -141.127412
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -39.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -411.445016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.445016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.445016 (E_RNA)
where:
Base-Base interactions energy: -288.789
where: short stacking energy: -118.843
Base-Backbone interact. energy: -1.470
local terms energy: -121.185494
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -30.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -420.829374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.829374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.829374 (E_RNA)
where:
Base-Base interactions energy: -305.748
where: short stacking energy: -135.986
Base-Backbone interact. energy: 0.120
local terms energy: -115.201488
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -31.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -342.977078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.977078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.977078 (E_RNA)
where:
Base-Base interactions energy: -240.091
where: short stacking energy: -106.150
Base-Backbone interact. energy: -0.353
local terms energy: -102.533071
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -310.801105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.801105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.801105 (E_RNA)
where:
Base-Base interactions energy: -203.678
where: short stacking energy: -91.585
Base-Backbone interact. energy: -0.538
local terms energy: -106.585613
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -21.936
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: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -264.361933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.361933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.361933 (E_RNA)
where:
Base-Base interactions energy: -178.911
where: short stacking energy: -76.607
Base-Backbone interact. energy: -1.418
local terms energy: -84.033791
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -9.501
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: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -285.744516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.744516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.744516 (E_RNA)
where:
Base-Base interactions energy: -179.427
where: short stacking energy: -82.297
Base-Backbone interact. energy: 0.841
local terms energy: -107.158680
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -17.105
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: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -490.321257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.321257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.321257 (E_RNA)
where:
Base-Base interactions energy: -336.154
where: short stacking energy: -147.918
Base-Backbone interact. energy: -0.043
local terms energy: -154.123882
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -39.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -473.491703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.491703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.491703 (E_RNA)
where:
Base-Base interactions energy: -333.741
where: short stacking energy: -144.720
Base-Backbone interact. energy: -2.536
local terms energy: -137.214184
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -28.536
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -39.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -485.334076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.334076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.334076 (E_RNA)
where:
Base-Base interactions energy: -335.083
where: short stacking energy: -159.927
Base-Backbone interact. energy: -0.238
local terms energy: -150.012846
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -43.517
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: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -457.117369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.117369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.117369 (E_RNA)
where:
Base-Base interactions energy: -325.674
where: short stacking energy: -158.174
Base-Backbone interact. energy: -0.915
local terms energy: -130.528257
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -27.442
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -43.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -420.052077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.052077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.052077 (E_RNA)
where:
Base-Base interactions energy: -294.148
where: short stacking energy: -121.271
Base-Backbone interact. energy: -0.442
local terms energy: -125.461875
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -29.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -421.720231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.720231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.720231 (E_RNA)
where:
Base-Base interactions energy: -287.609
where: short stacking energy: -130.287
Base-Backbone interact. energy: 0.171
local terms energy: -134.282208
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -36.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -338.065642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.065642 (E_RNA)
where:
Base-Base interactions energy: -243.402
where: short stacking energy: -107.476
Base-Backbone interact. energy: -0.670
local terms energy: -93.993323
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -20.493
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: 485
Temperature: 1.250000
Total energy: -300.141282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.141282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.141282 (E_RNA)
where:
Base-Base interactions energy: -196.522
where: short stacking energy: -95.596
Base-Backbone interact. energy: -0.263
local terms energy: -103.355737
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -268.757723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.757723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.757723 (E_RNA)
where:
Base-Base interactions energy: -158.562
where: short stacking energy: -72.481
Base-Backbone interact. energy: 1.065
local terms energy: -111.260869
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -27.930
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -268.163712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.163712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.163712 (E_RNA)
where:
Base-Base interactions energy: -180.657
where: short stacking energy: -74.958
Base-Backbone interact. energy: -1.252
local terms energy: -86.254999
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -14.672
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: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -489.246729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.246729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.246729 (E_RNA)
where:
Base-Base interactions energy: -339.827
where: short stacking energy: -145.692
Base-Backbone interact. energy: -0.029
local terms energy: -149.391120
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -38.919
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: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -484.608954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.608954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.608954 (E_RNA)
where:
Base-Base interactions energy: -346.958
where: short stacking energy: -152.023
Base-Backbone interact. energy: -0.792
local terms energy: -136.858657
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -36.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -480.239753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.239753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.239753 (E_RNA)
where:
Base-Base interactions energy: -332.526
where: short stacking energy: -164.924
Base-Backbone interact. energy: -0.942
local terms energy: -146.771811
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -42.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -456.583306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.583306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.583306 (E_RNA)
where:
Base-Base interactions energy: -322.414
where: short stacking energy: -147.022
Base-Backbone interact. energy: -0.006
local terms energy: -134.162951
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -41.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -439.401908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.401908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.401908 (E_RNA)
where:
Base-Base interactions energy: -308.629
where: short stacking energy: -138.859
Base-Backbone interact. energy: -0.930
local terms energy: -129.842280
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -36.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -430.800411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.800411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.800411 (E_RNA)
where:
Base-Base interactions energy: -296.984
where: short stacking energy: -126.511
Base-Backbone interact. energy: -0.597
local terms energy: -133.218520
where:
bonds (distance) C4'-P energy: -27.834
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -36.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -364.118945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.118945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.118945 (E_RNA)
where:
Base-Base interactions energy: -254.877
where: short stacking energy: -113.301
Base-Backbone interact. energy: -1.668
local terms energy: -107.574042
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -323.210501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.210501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.210501 (E_RNA)
where:
Base-Base interactions energy: -211.769
where: short stacking energy: -96.754
Base-Backbone interact. energy: -0.312
local terms energy: -111.130336
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -22.613
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: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -289.605160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.605160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.605160 (E_RNA)
where:
Base-Base interactions energy: -174.624
where: short stacking energy: -95.700
Base-Backbone interact. energy: -0.686
local terms energy: -114.295567
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -26.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -258.796753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.796753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.796753 (E_RNA)
where:
Base-Base interactions energy: -165.023
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.617
local terms energy: -93.156549
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -3.038
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: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -499.117251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.117251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.117251 (E_RNA)
where:
Base-Base interactions energy: -351.836
where: short stacking energy: -164.095
Base-Backbone interact. energy: -0.634
local terms energy: -146.646589
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -27.037
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -489.367944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.367944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.367944 (E_RNA)
where:
Base-Base interactions energy: -339.910
where: short stacking energy: -152.797
Base-Backbone interact. energy: -0.185
local terms energy: -149.273087
where:
bonds (distance) C4'-P energy: -29.326
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -39.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -475.580174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.580174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.580174 (E_RNA)
where:
Base-Base interactions energy: -335.377
where: short stacking energy: -144.821
Base-Backbone interact. energy: -0.592
local terms energy: -139.611219
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -26.743
tors. eta vs tors. theta energy: -38.178
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: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -462.701915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.701915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.701915 (E_RNA)
where:
Base-Base interactions energy: -324.482
where: short stacking energy: -152.961
Base-Backbone interact. energy: -0.059
local terms energy: -138.160824
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -44.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -440.174905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.174905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.174905 (E_RNA)
where:
Base-Base interactions energy: -299.571
where: short stacking energy: -133.268
Base-Backbone interact. energy: -1.316
local terms energy: -139.288011
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -37.598
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: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -402.418500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.418500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.418500 (E_RNA)
where:
Base-Base interactions energy: -288.934
where: short stacking energy: -129.205
Base-Backbone interact. energy: -0.023
local terms energy: -113.461808
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -356.382784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.382784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.382784 (E_RNA)
where:
Base-Base interactions energy: -236.852
where: short stacking energy: -115.943
Base-Backbone interact. energy: -0.144
local terms energy: -119.386807
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -339.412714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.412714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.412714 (E_RNA)
where:
Base-Base interactions energy: -223.664
where: short stacking energy: -106.645
Base-Backbone interact. energy: -0.206
local terms energy: -115.542754
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -256.009107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.009107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.009107 (E_RNA)
where:
Base-Base interactions energy: -162.605
where: short stacking energy: -74.084
Base-Backbone interact. energy: 1.765
local terms energy: -95.168730
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -14.523
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -251.048379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.048379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.048379 (E_RNA)
where:
Base-Base interactions energy: -163.986
where: short stacking energy: -77.102
Base-Backbone interact. energy: -1.283
local terms energy: -85.779221
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -494.743660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.743660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.743660 (E_RNA)
where:
Base-Base interactions energy: -353.118
where: short stacking energy: -160.476
Base-Backbone interact. energy: -0.010
local terms energy: -141.615856
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -43.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -490.980439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.980439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.980439 (E_RNA)
where:
Base-Base interactions energy: -338.169
where: short stacking energy: -151.584
Base-Backbone interact. energy: -0.111
local terms energy: -152.700671
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -41.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -462.038072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.038072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.038072 (E_RNA)
where:
Base-Base interactions energy: -310.937
where: short stacking energy: -144.736
Base-Backbone interact. energy: -1.421
local terms energy: -149.679726
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -39.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -460.214277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.214277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.214277 (E_RNA)
where:
Base-Base interactions energy: -325.503
where: short stacking energy: -147.717
Base-Backbone interact. energy: 0.528
local terms energy: -135.238544
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -41.406
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: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -422.830041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.830041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.830041 (E_RNA)
where:
Base-Base interactions energy: -297.643
where: short stacking energy: -118.257
Base-Backbone interact. energy: 0.112
local terms energy: -125.299556
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -31.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -445.075156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.075156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.075156 (E_RNA)
where:
Base-Base interactions energy: -317.843
where: short stacking energy: -145.679
Base-Backbone interact. energy: -0.042
local terms energy: -127.190672
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -38.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -361.716975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.716975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.716975 (E_RNA)
where:
Base-Base interactions energy: -245.539
where: short stacking energy: -116.700
Base-Backbone interact. energy: -2.733
local terms energy: -113.445232
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -23.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -320.019856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.019856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.019856 (E_RNA)
where:
Base-Base interactions energy: -218.508
where: short stacking energy: -106.683
Base-Backbone interact. energy: -0.637
local terms energy: -100.875308
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -237.888796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.888796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.888796 (E_RNA)
where:
Base-Base interactions energy: -134.559
where: short stacking energy: -68.689
Base-Backbone interact. energy: -0.232
local terms energy: -103.098112
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -14.616
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: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -242.586103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.586103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.586103 (E_RNA)
where:
Base-Base interactions energy: -151.065
where: short stacking energy: -77.166
Base-Backbone interact. energy: -0.631
local terms energy: -90.890655
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -21.946
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: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -484.208423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.208423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.208423 (E_RNA)
where:
Base-Base interactions energy: -342.261
where: short stacking energy: -148.058
Base-Backbone interact. energy: -0.143
local terms energy: -141.804027
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -40.814
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: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -487.817312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.817312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.817312 (E_RNA)
where:
Base-Base interactions energy: -345.592
where: short stacking energy: -151.395
Base-Backbone interact. energy: -0.721
local terms energy: -141.504085
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -38.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -475.299499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.299499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.299499 (E_RNA)
where:
Base-Base interactions energy: -324.350
where: short stacking energy: -155.244
Base-Backbone interact. energy: -0.345
local terms energy: -150.604877
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: -42.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -440.741868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.741868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.741868 (E_RNA)
where:
Base-Base interactions energy: -309.978
where: short stacking energy: -124.802
Base-Backbone interact. energy: -0.632
local terms energy: -130.131315
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -32.306
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -460.602664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.602664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.602664 (E_RNA)
where:
Base-Base interactions energy: -326.478
where: short stacking energy: -139.284
Base-Backbone interact. energy: -0.848
local terms energy: -133.276355
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -448.585006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.585006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.585006 (E_RNA)
where:
Base-Base interactions energy: -321.263
where: short stacking energy: -140.308
Base-Backbone interact. energy: -0.158
local terms energy: -127.163872
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -35.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -361.143160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.143160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.143160 (E_RNA)
where:
Base-Base interactions energy: -245.006
where: short stacking energy: -98.619
Base-Backbone interact. energy: -0.171
local terms energy: -115.966268
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -26.460
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: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -321.630197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.630197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.630197 (E_RNA)
where:
Base-Base interactions energy: -198.945
where: short stacking energy: -102.246
Base-Backbone interact. energy: -0.314
local terms energy: -122.371471
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -26.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -256.283760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.283760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.283760 (E_RNA)
where:
Base-Base interactions energy: -162.009
where: short stacking energy: -69.814
Base-Backbone interact. energy: -1.178
local terms energy: -93.096932
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -17.825
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: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -263.710080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.710080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.710080 (E_RNA)
where:
Base-Base interactions energy: -166.854
where: short stacking energy: -81.747
Base-Backbone interact. energy: -2.445
local terms energy: -94.411283
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -495.004946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.004946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.004946 (E_RNA)
where:
Base-Base interactions energy: -344.112
where: short stacking energy: -146.046
Base-Backbone interact. energy: -0.787
local terms energy: -150.105287
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: -39.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -487.824804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.824804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.824804 (E_RNA)
where:
Base-Base interactions energy: -343.144
where: short stacking energy: -152.306
Base-Backbone interact. energy: -0.808
local terms energy: -143.871951
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -42.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -470.295642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.295642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.295642 (E_RNA)
where:
Base-Base interactions energy: -323.527
where: short stacking energy: -152.470
Base-Backbone interact. energy: 0.211
local terms energy: -146.979997
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -44.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -441.787099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.787099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.787099 (E_RNA)
where:
Base-Base interactions energy: -319.778
where: short stacking energy: -140.555
Base-Backbone interact. energy: -0.809
local terms energy: -121.199633
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -33.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -443.437199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.437199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.437199 (E_RNA)
where:
Base-Base interactions energy: -313.452
where: short stacking energy: -133.330
Base-Backbone interact. energy: -1.255
local terms energy: -128.730204
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -32.666
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: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -438.860585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.860585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.860585 (E_RNA)
where:
Base-Base interactions energy: -313.783
where: short stacking energy: -143.462
Base-Backbone interact. energy: -0.205
local terms energy: -124.872488
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -40.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -355.526513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.526513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.526513 (E_RNA)
where:
Base-Base interactions energy: -245.365
where: short stacking energy: -112.204
Base-Backbone interact. energy: -1.215
local terms energy: -108.947059
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -27.913
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: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -322.505293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.505293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.505293 (E_RNA)
where:
Base-Base interactions energy: -207.506
where: short stacking energy: -111.778
Base-Backbone interact. energy: -0.079
local terms energy: -114.919659
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -272.332543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.332543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.332543 (E_RNA)
where:
Base-Base interactions energy: -172.793
where: short stacking energy: -93.922
Base-Backbone interact. energy: -1.744
local terms energy: -97.795141
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -14.414
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: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -238.739196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.739196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.739196 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -68.478
Base-Backbone interact. energy: -0.002
local terms energy: -88.921522
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -494.812570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.812570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.812570 (E_RNA)
where:
Base-Base interactions energy: -350.532
where: short stacking energy: -152.354
Base-Backbone interact. energy: -0.719
local terms energy: -143.561919
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -42.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -481.319946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.319946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.319946 (E_RNA)
where:
Base-Base interactions energy: -333.069
where: short stacking energy: -165.784
Base-Backbone interact. energy: -0.042
local terms energy: -148.208497
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -46.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -493.460286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.460286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.460286 (E_RNA)
where:
Base-Base interactions energy: -339.738
where: short stacking energy: -160.109
Base-Backbone interact. energy: -1.604
local terms energy: -152.118405
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -33.902
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -462.490519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.490519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.490519 (E_RNA)
where:
Base-Base interactions energy: -322.255
where: short stacking energy: -142.042
Base-Backbone interact. energy: -0.460
local terms energy: -139.775420
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -37.610
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: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -433.631717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.631717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.631717 (E_RNA)
where:
Base-Base interactions energy: -302.562
where: short stacking energy: -141.676
Base-Backbone interact. energy: -0.252
local terms energy: -130.817808
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -37.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -446.117435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.117435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.117435 (E_RNA)
where:
Base-Base interactions energy: -311.701
where: short stacking energy: -138.939
Base-Backbone interact. energy: -0.593
local terms energy: -133.823746
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -35.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -362.264234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.264234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.264234 (E_RNA)
where:
Base-Base interactions energy: -247.147
where: short stacking energy: -112.949
Base-Backbone interact. energy: -0.717
local terms energy: -114.399864
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -277.624136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.624136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.624136 (E_RNA)
where:
Base-Base interactions energy: -186.385
where: short stacking energy: -99.831
Base-Backbone interact. energy: -0.100
local terms energy: -91.139262
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -295.724255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.724255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.724255 (E_RNA)
where:
Base-Base interactions energy: -181.683
where: short stacking energy: -78.502
Base-Backbone interact. energy: -1.692
local terms energy: -112.349104
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -17.293
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: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -253.643081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.643081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.643081 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -80.969
Base-Backbone interact. energy: -0.472
local terms energy: -103.488774
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -495.969834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.969834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.969834 (E_RNA)
where:
Base-Base interactions energy: -352.075
where: short stacking energy: -159.271
Base-Backbone interact. energy: -0.610
local terms energy: -143.284595
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -28.055
flat angles C4'-P-C4' energy: -30.113
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -42.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -471.042290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.042290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.042290 (E_RNA)
where:
Base-Base interactions energy: -321.490
where: short stacking energy: -155.095
Base-Backbone interact. energy: -0.309
local terms energy: -149.242709
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -43.390
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: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -472.279613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.279613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.279613 (E_RNA)
where:
Base-Base interactions energy: -336.444
where: short stacking energy: -148.599
Base-Backbone interact. energy: -0.222
local terms energy: -135.613491
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -30.038
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -39.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -450.550039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.550039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.550039 (E_RNA)
where:
Base-Base interactions energy: -314.978
where: short stacking energy: -139.926
Base-Backbone interact. energy: 0.767
local terms energy: -136.338975
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -37.989
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: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -451.601798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.601798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.601798 (E_RNA)
where:
Base-Base interactions energy: -311.217
where: short stacking energy: -148.766
Base-Backbone interact. energy: -0.006
local terms energy: -140.378861
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -40.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -423.918049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.918049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.918049 (E_RNA)
where:
Base-Base interactions energy: -305.575
where: short stacking energy: -130.514
Base-Backbone interact. energy: 6.622
local terms energy: -124.964584
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -362.112603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.112603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.112603 (E_RNA)
where:
Base-Base interactions energy: -256.041
where: short stacking energy: -107.839
Base-Backbone interact. energy: -0.741
local terms energy: -105.330827
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -29.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -297.036562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.036562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.036562 (E_RNA)
where:
Base-Base interactions energy: -183.608
where: short stacking energy: -88.280
Base-Backbone interact. energy: -1.225
local terms energy: -112.203253
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -264.093736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.093736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.093736 (E_RNA)
where:
Base-Base interactions energy: -159.588
where: short stacking energy: -81.792
Base-Backbone interact. energy: -0.069
local terms energy: -104.436604
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -17.392
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: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -285.321482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.321482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.321482 (E_RNA)
where:
Base-Base interactions energy: -178.315
where: short stacking energy: -86.466
Base-Backbone interact. energy: -0.714
local terms energy: -106.291885
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -498.416537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.416537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.416537 (E_RNA)
where:
Base-Base interactions energy: -352.986
where: short stacking energy: -151.095
Base-Backbone interact. energy: -1.028
local terms energy: -144.401918
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -41.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -496.750107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.750107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.750107 (E_RNA)
where:
Base-Base interactions energy: -349.107
where: short stacking energy: -163.438
Base-Backbone interact. energy: -0.014
local terms energy: -147.628988
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -24.205
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -43.062
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: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -465.322315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.322315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.322315 (E_RNA)
where:
Base-Base interactions energy: -321.493
where: short stacking energy: -149.283
Base-Backbone interact. energy: -1.187
local terms energy: -142.642594
where:
bonds (distance) C4'-P energy: -28.707
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -45.281
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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -461.758067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.758067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.758067 (E_RNA)
where:
Base-Base interactions energy: -317.032
where: short stacking energy: -133.255
Base-Backbone interact. energy: -0.133
local terms energy: -144.593277
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -37.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -447.560984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.560984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.560984 (E_RNA)
where:
Base-Base interactions energy: -314.365
where: short stacking energy: -136.468
Base-Backbone interact. energy: -0.654
local terms energy: -132.542202
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -39.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -422.270900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.270900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.270900 (E_RNA)
where:
Base-Base interactions energy: -295.859
where: short stacking energy: -130.861
Base-Backbone interact. energy: -0.610
local terms energy: -125.802574
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -26.493
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -364.358685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.358685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.358685 (E_RNA)
where:
Base-Base interactions energy: -235.749
where: short stacking energy: -103.676
Base-Backbone interact. energy: -2.140
local terms energy: -126.469934
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -27.053
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: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -273.952151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.952151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.952151 (E_RNA)
where:
Base-Base interactions energy: -195.057
where: short stacking energy: -90.956
Base-Backbone interact. energy: -0.060
local terms energy: -78.834333
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -285.955022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.955022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.955022 (E_RNA)
where:
Base-Base interactions energy: -185.353
where: short stacking energy: -95.980
Base-Backbone interact. energy: -1.540
local terms energy: -99.062652
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -309.387093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.387093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.387093 (E_RNA)
where:
Base-Base interactions energy: -197.184
where: short stacking energy: -94.911
Base-Backbone interact. energy: -0.329
local terms energy: -111.874015
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -22.945
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: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -496.745697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.745697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.745697 (E_RNA)
where:
Base-Base interactions energy: -346.186
where: short stacking energy: -154.672
Base-Backbone interact. energy: 0.075
local terms energy: -150.634684
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -43.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -489.897103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.897103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.897103 (E_RNA)
where:
Base-Base interactions energy: -344.152
where: short stacking energy: -166.730
Base-Backbone interact. energy: -0.009
local terms energy: -145.735738
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -43.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -462.250409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.250409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.250409 (E_RNA)
where:
Base-Base interactions energy: -335.494
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.798
local terms energy: -125.958491
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -36.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -457.851764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.851764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.851764 (E_RNA)
where:
Base-Base interactions energy: -311.848
where: short stacking energy: -144.603
Base-Backbone interact. energy: -0.278
local terms energy: -145.725319
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -39.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -446.548165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.548165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.548165 (E_RNA)
where:
Base-Base interactions energy: -308.702
where: short stacking energy: -137.967
Base-Backbone interact. energy: -0.092
local terms energy: -137.753873
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -40.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -418.768664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.768664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.768664 (E_RNA)
where:
Base-Base interactions energy: -299.235
where: short stacking energy: -128.291
Base-Backbone interact. energy: 1.407
local terms energy: -120.941106
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -31.803
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: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -362.362838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.362838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.362838 (E_RNA)
where:
Base-Base interactions energy: -239.292
where: short stacking energy: -117.085
Base-Backbone interact. energy: -0.879
local terms energy: -122.192129
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -32.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -267.084505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.084505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.084505 (E_RNA)
where:
Base-Base interactions energy: -164.729
where: short stacking energy: -85.081
Base-Backbone interact. energy: 1.459
local terms energy: -103.813739
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -10.286
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -259.814611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.814611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.814611 (E_RNA)
where:
Base-Base interactions energy: -157.144
where: short stacking energy: -82.447
Base-Backbone interact. energy: 0.997
local terms energy: -103.668014
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -275.620655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.620655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.620655 (E_RNA)
where:
Base-Base interactions energy: -174.762
where: short stacking energy: -89.036
Base-Backbone interact. energy: -0.923
local terms energy: -99.935964
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -24.898
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: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -500.463826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.463826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.463826 (E_RNA)
where:
Base-Base interactions energy: -350.299
where: short stacking energy: -158.381
Base-Backbone interact. energy: -0.847
local terms energy: -149.318117
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -41.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -488.169687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.169687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.169687 (E_RNA)
where:
Base-Base interactions energy: -348.361
where: short stacking energy: -152.527
Base-Backbone interact. energy: -0.646
local terms energy: -139.162736
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -41.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -474.478726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.478726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.478726 (E_RNA)
where:
Base-Base interactions energy: -339.445
where: short stacking energy: -151.852
Base-Backbone interact. energy: -1.313
local terms energy: -133.721337
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -40.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -465.668998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.668998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.668998 (E_RNA)
where:
Base-Base interactions energy: -327.217
where: short stacking energy: -150.313
Base-Backbone interact. energy: -0.202
local terms energy: -138.250457
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -41.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -447.554587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.554587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.554587 (E_RNA)
where:
Base-Base interactions energy: -307.775
where: short stacking energy: -152.796
Base-Backbone interact. energy: -0.856
local terms energy: -138.923109
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -39.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -427.505855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.505855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.505855 (E_RNA)
where:
Base-Base interactions energy: -300.343
where: short stacking energy: -132.682
Base-Backbone interact. energy: -0.366
local terms energy: -126.797329
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -35.765
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: 495
Temperature: 1.200000
Total energy: -358.332415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.332415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.332415 (E_RNA)
where:
Base-Base interactions energy: -240.295
where: short stacking energy: -103.694
Base-Backbone interact. energy: -1.436
local terms energy: -116.601150
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -31.045
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -262.289297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.289297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.289297 (E_RNA)
where:
Base-Base interactions energy: -165.142
where: short stacking energy: -85.142
Base-Backbone interact. energy: -0.875
local terms energy: -96.271600
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -13.143
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: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -249.461865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.461865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.461865 (E_RNA)
where:
Base-Base interactions energy: -159.978
where: short stacking energy: -86.246
Base-Backbone interact. energy: -0.140
local terms energy: -89.343222
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -27.707
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -281.304105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.304105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.304105 (E_RNA)
where:
Base-Base interactions energy: -184.684
where: short stacking energy: -90.282
Base-Backbone interact. energy: -0.351
local terms energy: -96.268983
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -472.481928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.481928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.481928 (E_RNA)
where:
Base-Base interactions energy: -327.338
where: short stacking energy: -139.519
Base-Backbone interact. energy: -0.343
local terms energy: -144.801158
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -36.696
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: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -484.345715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.345715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.345715 (E_RNA)
where:
Base-Base interactions energy: -329.800
where: short stacking energy: -151.213
Base-Backbone interact. energy: -0.455
local terms energy: -154.091303
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -44.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -464.806424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.806424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.806424 (E_RNA)
where:
Base-Base interactions energy: -327.291
where: short stacking energy: -150.333
Base-Backbone interact. energy: -1.294
local terms energy: -136.221698
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -27.119
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -36.039
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: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -462.186966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.186966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.186966 (E_RNA)
where:
Base-Base interactions energy: -321.363
where: short stacking energy: -136.758
Base-Backbone interact. energy: -0.049
local terms energy: -140.774782
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -42.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -421.337910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.337910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.337910 (E_RNA)
where:
Base-Base interactions energy: -295.191
where: short stacking energy: -129.819
Base-Backbone interact. energy: -0.272
local terms energy: -125.874680
where:
bonds (distance) C4'-P energy: -26.089
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -35.124
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: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -424.652911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.652911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.652911 (E_RNA)
where:
Base-Base interactions energy: -287.707
where: short stacking energy: -134.209
Base-Backbone interact. energy: -0.682
local terms energy: -136.263796
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -357.079883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.079883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.079883 (E_RNA)
where:
Base-Base interactions energy: -236.802
where: short stacking energy: -102.805
Base-Backbone interact. energy: -0.890
local terms energy: -119.388169
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -26.703
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: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -281.220798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.220798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.220798 (E_RNA)
where:
Base-Base interactions energy: -176.162
where: short stacking energy: -86.502
Base-Backbone interact. energy: -0.301
local terms energy: -104.757320
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -255.104971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.104971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.104971 (E_RNA)
where:
Base-Base interactions energy: -158.965
where: short stacking energy: -97.656
Base-Backbone interact. energy: 0.566
local terms energy: -96.706442
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -247.211840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.211840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.211840 (E_RNA)
where:
Base-Base interactions energy: -157.335
where: short stacking energy: -72.410
Base-Backbone interact. energy: -0.137
local terms energy: -89.740634
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -491.565179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.565179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.565179 (E_RNA)
where:
Base-Base interactions energy: -350.401
where: short stacking energy: -143.993
Base-Backbone interact. energy: -0.062
local terms energy: -141.102601
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -39.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -480.419603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.419603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.419603 (E_RNA)
where:
Base-Base interactions energy: -332.579
where: short stacking energy: -150.428
Base-Backbone interact. energy: -0.531
local terms energy: -147.309359
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -39.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -481.506578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.506578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.506578 (E_RNA)
where:
Base-Base interactions energy: -327.035
where: short stacking energy: -147.568
Base-Backbone interact. energy: -0.504
local terms energy: -153.967868
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -31.192
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -41.350
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: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -482.215537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.215537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.215537 (E_RNA)
where:
Base-Base interactions energy: -343.925
where: short stacking energy: -157.016
Base-Backbone interact. energy: -0.024
local terms energy: -138.267081
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -41.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -418.196860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.196860 (E_RNA)
where:
Base-Base interactions energy: -291.645
where: short stacking energy: -117.173
Base-Backbone interact. energy: -1.470
local terms energy: -125.081673
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -366.491313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.491313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.491313 (E_RNA)
where:
Base-Base interactions energy: -251.023
where: short stacking energy: -113.990
Base-Backbone interact. energy: 0.263
local terms energy: -115.731146
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -380.995595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.995595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.995595 (E_RNA)
where:
Base-Base interactions energy: -267.822
where: short stacking energy: -109.425
Base-Backbone interact. energy: -0.211
local terms energy: -112.962680
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -277.498975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.498975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.498975 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -86.879
Base-Backbone interact. energy: -0.187
local terms energy: -108.081967
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -234.227560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.227560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.227560 (E_RNA)
where:
Base-Base interactions energy: -143.492
where: short stacking energy: -81.418
Base-Backbone interact. energy: 0.508
local terms energy: -91.243569
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -9.159
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: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -262.828730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.828730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.828730 (E_RNA)
where:
Base-Base interactions energy: -155.479
where: short stacking energy: -85.875
Base-Backbone interact. energy: -0.224
local terms energy: -107.125845
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -478.748924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.748924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.748924 (E_RNA)
where:
Base-Base interactions energy: -335.216
where: short stacking energy: -143.860
Base-Backbone interact. energy: -1.016
local terms energy: -142.516890
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -37.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -486.063416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.063416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.063416 (E_RNA)
where:
Base-Base interactions energy: -351.909
where: short stacking energy: -149.682
Base-Backbone interact. energy: -0.141
local terms energy: -134.013318
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -42.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -478.910823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.910823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.910823 (E_RNA)
where:
Base-Base interactions energy: -330.194
where: short stacking energy: -140.638
Base-Backbone interact. energy: -0.474
local terms energy: -148.242815
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -29.511
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -41.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -457.009595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.009595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.009595 (E_RNA)
where:
Base-Base interactions energy: -308.571
where: short stacking energy: -148.107
Base-Backbone interact. energy: -0.005
local terms energy: -148.433631
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -40.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -378.523710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.523710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.523710 (E_RNA)
where:
Base-Base interactions energy: -255.172
where: short stacking energy: -132.404
Base-Backbone interact. energy: -0.856
local terms energy: -122.495559
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -34.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -420.318958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.318958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.318958 (E_RNA)
where:
Base-Base interactions energy: -299.727
where: short stacking energy: -124.243
Base-Backbone interact. energy: -0.357
local terms energy: -120.234237
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -36.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -393.470293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.470293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.470293 (E_RNA)
where:
Base-Base interactions energy: -267.425
where: short stacking energy: -114.299
Base-Backbone interact. energy: -0.003
local terms energy: -126.042434
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -289.212103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.212103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.212103 (E_RNA)
where:
Base-Base interactions energy: -181.203
where: short stacking energy: -104.183
Base-Backbone interact. energy: -0.309
local terms energy: -107.699349
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -270.256266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.256266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.256266 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -88.559
Base-Backbone interact. energy: -0.955
local terms energy: -97.291596
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -13.800
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: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -215.366895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.366895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.366895 (E_RNA)
where:
Base-Base interactions energy: -115.632
where: short stacking energy: -60.237
Base-Backbone interact. energy: 0.712
local terms energy: -100.447050
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -499.963911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.963911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.963911 (E_RNA)
where:
Base-Base interactions energy: -346.120
where: short stacking energy: -155.202
Base-Backbone interact. energy: -0.589
local terms energy: -153.254469
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -27.096
tors. eta vs tors. theta energy: -42.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -479.485283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.485283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.485283 (E_RNA)
where:
Base-Base interactions energy: -332.951
where: short stacking energy: -144.876
Base-Backbone interact. energy: 0.404
local terms energy: -146.938920
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -39.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -476.096694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.096694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.096694 (E_RNA)
where:
Base-Base interactions energy: -338.313
where: short stacking energy: -148.488
Base-Backbone interact. energy: -0.228
local terms energy: -137.556463
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -32.692
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -37.758
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: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -458.097799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.097799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.097799 (E_RNA)
where:
Base-Base interactions energy: -316.064
where: short stacking energy: -155.581
Base-Backbone interact. energy: -0.141
local terms energy: -141.892224
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -37.257
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: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -382.567637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.567637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.567637 (E_RNA)
where:
Base-Base interactions energy: -248.631
where: short stacking energy: -120.892
Base-Backbone interact. energy: -1.665
local terms energy: -132.271508
where:
bonds (distance) C4'-P energy: -28.120
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -379.935574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.935574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.935574 (E_RNA)
where:
Base-Base interactions energy: -270.901
where: short stacking energy: -112.922
Base-Backbone interact. energy: 2.414
local terms energy: -111.447745
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -388.424446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.424446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.424446 (E_RNA)
where:
Base-Base interactions energy: -269.982
where: short stacking energy: -107.114
Base-Backbone interact. energy: -0.097
local terms energy: -118.345593
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -280.848485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.848485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.848485 (E_RNA)
where:
Base-Base interactions energy: -174.881
where: short stacking energy: -90.456
Base-Backbone interact. energy: -0.086
local terms energy: -105.881426
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -276.714760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.714760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.714760 (E_RNA)
where:
Base-Base interactions energy: -184.129
where: short stacking energy: -93.647
Base-Backbone interact. energy: -0.250
local terms energy: -92.335278
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -11.597
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: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -211.315396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.315396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.315396 (E_RNA)
where:
Base-Base interactions energy: -126.966
where: short stacking energy: -68.549
Base-Backbone interact. energy: 0.114
local terms energy: -84.463884
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -491.051578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.051578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.051578 (E_RNA)
where:
Base-Base interactions energy: -344.645
where: short stacking energy: -145.796
Base-Backbone interact. energy: -0.700
local terms energy: -145.706869
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -29.994
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -40.257
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: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -483.840172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.840172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.840172 (E_RNA)
where:
Base-Base interactions energy: -337.539
where: short stacking energy: -145.151
Base-Backbone interact. energy: -0.097
local terms energy: -146.203372
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -43.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -462.222996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.222996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.222996 (E_RNA)
where:
Base-Base interactions energy: -333.524
where: short stacking energy: -152.318
Base-Backbone interact. energy: -0.695
local terms energy: -128.004436
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -39.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -458.373665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.373665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.373665 (E_RNA)
where:
Base-Base interactions energy: -316.345
where: short stacking energy: -142.330
Base-Backbone interact. energy: 0.075
local terms energy: -142.103540
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -40.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -371.943869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.943869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.943869 (E_RNA)
where:
Base-Base interactions energy: -245.654
where: short stacking energy: -116.182
Base-Backbone interact. energy: -0.328
local terms energy: -125.961399
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -357.053343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.053343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.053343 (E_RNA)
where:
Base-Base interactions energy: -238.107
where: short stacking energy: -110.312
Base-Backbone interact. energy: -0.631
local terms energy: -118.315326
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -29.296
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -412.476775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.476775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.476775 (E_RNA)
where:
Base-Base interactions energy: -297.670
where: short stacking energy: -125.834
Base-Backbone interact. energy: -0.100
local terms energy: -114.707385
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -33.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -278.393614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.393614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.393614 (E_RNA)
where:
Base-Base interactions energy: -168.809
where: short stacking energy: -78.713
Base-Backbone interact. energy: -0.364
local terms energy: -109.220044
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -20.045
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: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -267.906295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.906295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.906295 (E_RNA)
where:
Base-Base interactions energy: -161.592
where: short stacking energy: -82.614
Base-Backbone interact. energy: -0.148
local terms energy: -106.166210
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -216.098923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.098923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.098923 (E_RNA)
where:
Base-Base interactions energy: -137.048
where: short stacking energy: -66.348
Base-Backbone interact. energy: 2.715
local terms energy: -81.765487
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -501.286865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.286865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.286865 (E_RNA)
where:
Base-Base interactions energy: -354.855
where: short stacking energy: -159.466
Base-Backbone interact. energy: -0.369
local terms energy: -146.063700
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -494.271079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.271079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.271079 (E_RNA)
where:
Base-Base interactions energy: -347.353
where: short stacking energy: -156.844
Base-Backbone interact. energy: -1.193
local terms energy: -145.725697
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -42.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -482.158125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.158125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.158125 (E_RNA)
where:
Base-Base interactions energy: -332.920
where: short stacking energy: -159.820
Base-Backbone interact. energy: -0.726
local terms energy: -148.512281
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -30.181
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -45.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -460.963042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.963042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.963042 (E_RNA)
where:
Base-Base interactions energy: -328.497
where: short stacking energy: -146.538
Base-Backbone interact. energy: -0.216
local terms energy: -132.249107
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -35.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -402.884487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.884487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.884487 (E_RNA)
where:
Base-Base interactions energy: -279.584
where: short stacking energy: -122.607
Base-Backbone interact. energy: -0.056
local terms energy: -123.244262
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -31.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -418.046065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.046065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.046065 (E_RNA)
where:
Base-Base interactions energy: -280.185
where: short stacking energy: -135.706
Base-Backbone interact. energy: 1.882
local terms energy: -139.743245
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -29.762
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -35.013
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: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -356.897857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.897857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.897857 (E_RNA)
where:
Base-Base interactions energy: -235.630
where: short stacking energy: -113.054
Base-Backbone interact. energy: -0.695
local terms energy: -120.572693
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -31.696
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: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -280.345434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.345434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.345434 (E_RNA)
where:
Base-Base interactions energy: -180.575
where: short stacking energy: -94.552
Base-Backbone interact. energy: -0.355
local terms energy: -99.415244
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -275.188666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.188666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.188666 (E_RNA)
where:
Base-Base interactions energy: -185.617
where: short stacking energy: -81.336
Base-Backbone interact. energy: -0.735
local terms energy: -88.836775
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -250.279371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.279371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.279371 (E_RNA)
where:
Base-Base interactions energy: -150.661
where: short stacking energy: -86.913
Base-Backbone interact. energy: -0.491
local terms energy: -99.127358
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -29.143
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -13.099
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)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 22394402
moves confirmed later: 25207469
all moves confirmed: 47601871
percent of confirmed moves: 5.950234
current total energy: -465.591357
recalc. total energy: -465.591357
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 21821986
moves confirmed later: 24500891
all moves confirmed: 46322877
percent of confirmed moves: 5.790360
current total energy: -469.596078
recalc. total energy: -469.596078
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 18242188
moves confirmed later: 19772298
all moves confirmed: 38014486
percent of confirmed moves: 4.751811
current total energy: -415.554039
recalc. total energy: -415.554039
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 29342158
moves confirmed later: 34402725
all moves confirmed: 63744883
percent of confirmed moves: 7.968110
current total energy: -398.533516
recalc. total energy: -398.533516
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 19722303
moves confirmed later: 21808888
all moves confirmed: 41531191
percent of confirmed moves: 5.191399
current total energy: -320.869024
recalc. total energy: -320.869024
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 24353302
moves confirmed later: 27883660
all moves confirmed: 52236962
percent of confirmed moves: 6.529620
current total energy: -344.451886
recalc. total energy: -344.451886
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 24290793
moves confirmed later: 27793901
all moves confirmed: 52084694
percent of confirmed moves: 6.510587
current total energy: -288.609882
recalc. total energy: -288.609882
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 29848837
moves confirmed later: 34851481
all moves confirmed: 64700318
percent of confirmed moves: 8.087540
current total energy: -255.304223
recalc. total energy: -255.304223
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 34133839
moves confirmed later: 40574219
all moves confirmed: 74708058
percent of confirmed moves: 9.338507
current total energy: -186.820046
recalc. total energy: -186.820046
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23071451
moves confirmed later: 26210872
all moves confirmed: 49282323
percent of confirmed moves: 6.160290
current total energy: -128.965003
recalc. total energy: -128.965003
out arg RESULTS//1/sarfaraz2250gmail.co-86d3712c_01
Time of doing 8000000 iterations: 4433.097 seconds