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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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/6hag-ed199df1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6hag-ed199df1/inputs/seq.fa: 1
curr_seq: _GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUCACAACGGCUUCCUGACGUGGCAGAUUGAAUUAUUGGAGCA
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 43 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: 220
n_atoms_counter: 220
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 43.000000 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: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -176.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683789 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -167.715585
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -247.935208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.935208 (E_RNA)
where:
Base-Base interactions energy: -107.681
where: short stacking energy: -100.025
Base-Backbone interact. energy: 0.039
local terms energy: -140.293410
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -21.483
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -232.226548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.226548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.226548 (E_RNA)
where:
Base-Base interactions energy: -125.531
where: short stacking energy: -89.167
Base-Backbone interact. energy: -0.143
local terms energy: -106.552876
where:
bonds (distance) C4'-P energy: -32.634
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -11.693
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: 2
Temperature: 1.000000
Total energy: -222.857129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.857129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.857129 (E_RNA)
where:
Base-Base interactions energy: -101.549
where: short stacking energy: -101.549
Base-Backbone interact. energy: -0.036
local terms energy: -121.272754
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -206.158389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.158389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.158389 (E_RNA)
where:
Base-Base interactions energy: -89.450
where: short stacking energy: -89.450
Base-Backbone interact. energy: -0.046
local terms energy: -116.662564
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -253.317461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.317461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.317461 (E_RNA)
where:
Base-Base interactions energy: -130.872
where: short stacking energy: -98.693
Base-Backbone interact. energy: -1.039
local terms energy: -121.406757
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -20.066
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -190.930911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.930911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.930911 (E_RNA)
where:
Base-Base interactions energy: -73.338
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.341
local terms energy: -117.252436
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -19.753
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -176.477696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.477696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.477696 (E_RNA)
where:
Base-Base interactions energy: -11.113
where: short stacking energy: -11.113
Base-Backbone interact. energy: -0.000
local terms energy: -165.364992
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -35.993
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -176.474957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.474957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.474957 (E_RNA)
where:
Base-Base interactions energy: -11.110
where: short stacking energy: -11.110
Base-Backbone interact. energy: -0.000
local terms energy: -165.364992
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -35.993
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -176.148295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.148295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.148295 (E_RNA)
where:
Base-Base interactions energy: -11.107
where: short stacking energy: -11.107
Base-Backbone interact. energy: -0.000
local terms energy: -165.041172
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -35.993
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -175.705405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.705405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.705405 (E_RNA)
where:
Base-Base interactions energy: -8.968
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.000
local terms energy: -166.737200
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -265.518461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.518461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.518461 (E_RNA)
where:
Base-Base interactions energy: -145.540
where: short stacking energy: -96.236
Base-Backbone interact. energy: -1.573
local terms energy: -118.406236
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -33.275
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -242.777314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.777314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.777314 (E_RNA)
where:
Base-Base interactions energy: -115.674
where: short stacking energy: -83.458
Base-Backbone interact. energy: -2.069
local terms energy: -125.035040
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -29.426
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -264.637088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.637088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.637088 (E_RNA)
where:
Base-Base interactions energy: -162.672
where: short stacking energy: -59.205
Base-Backbone interact. energy: -1.149
local terms energy: -100.816366
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -294.079218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.079218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.079218 (E_RNA)
where:
Base-Base interactions energy: -160.529
where: short stacking energy: -82.216
Base-Backbone interact. energy: -0.447
local terms energy: -133.103124
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -32.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -221.584130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.584130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.584130 (E_RNA)
where:
Base-Base interactions energy: -106.151
where: short stacking energy: -82.775
Base-Backbone interact. energy: -0.265
local terms energy: -115.168008
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -205.397535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.397535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.397535 (E_RNA)
where:
Base-Base interactions energy: -95.201
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.783
local terms energy: -109.413626
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -160.600132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.600132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.600132 (E_RNA)
where:
Base-Base interactions energy: -77.543
where: short stacking energy: -33.147
Base-Backbone interact. energy: -1.188
local terms energy: -81.868946
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: 0.725
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -182.494750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.494750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.494750 (E_RNA)
where:
Base-Base interactions energy: -87.997
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.933
local terms energy: -93.564448
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -153.477237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.477237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.477237 (E_RNA)
where:
Base-Base interactions energy: -68.549
where: short stacking energy: -47.499
Base-Backbone interact. energy: -1.724
local terms energy: -83.204535
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -142.334707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.334707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.334707 (E_RNA)
where:
Base-Base interactions energy: -62.208
where: short stacking energy: -40.333
Base-Backbone interact. energy: 3.037
local terms energy: -83.162819
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -3.704
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -306.767411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.767411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.767411 (E_RNA)
where:
Base-Base interactions energy: -164.524
where: short stacking energy: -105.867
Base-Backbone interact. energy: -0.220
local terms energy: -142.023553
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -32.226
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -282.786533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.786533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.786533 (E_RNA)
where:
Base-Base interactions energy: -146.276
where: short stacking energy: -93.754
Base-Backbone interact. energy: -0.621
local terms energy: -135.889933
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -22.854
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -308.115754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.115754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.115754 (E_RNA)
where:
Base-Base interactions energy: -178.093
where: short stacking energy: -99.234
Base-Backbone interact. energy: -0.171
local terms energy: -129.851621
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -28.834
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -25.373
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -257.431883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.431883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.431883 (E_RNA)
where:
Base-Base interactions energy: -152.187
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.649
local terms energy: -104.596376
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -229.484666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.484666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.484666 (E_RNA)
where:
Base-Base interactions energy: -121.253
where: short stacking energy: -66.112
Base-Backbone interact. energy: 0.115
local terms energy: -108.346467
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -9.589
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -206.562095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.562095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.562095 (E_RNA)
where:
Base-Base interactions energy: -107.754
where: short stacking energy: -77.759
Base-Backbone interact. energy: -0.289
local terms energy: -98.518958
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -165.830614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.830614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.830614 (E_RNA)
where:
Base-Base interactions energy: -56.212
where: short stacking energy: -44.143
Base-Backbone interact. energy: -1.183
local terms energy: -108.435082
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -143.427623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.427623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.427623 (E_RNA)
where:
Base-Base interactions energy: -45.361
where: short stacking energy: -43.890
Base-Backbone interact. energy: 0.574
local terms energy: -98.640875
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -6.131
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: 4
Temperature: 1.300000
Total energy: -132.133554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.133554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.133554 (E_RNA)
where:
Base-Base interactions energy: -46.399
where: short stacking energy: -30.412
Base-Backbone interact. energy: 5.903
local terms energy: -91.636766
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: 2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -150.362393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.362393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.362393 (E_RNA)
where:
Base-Base interactions energy: -66.352
where: short stacking energy: -32.558
Base-Backbone interact. energy: -1.998
local terms energy: -82.012243
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -321.156157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.156157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.156157 (E_RNA)
where:
Base-Base interactions energy: -168.579
where: short stacking energy: -119.949
Base-Backbone interact. energy: -0.313
local terms energy: -152.263967
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -33.818
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -321.164773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.164773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.164773 (E_RNA)
where:
Base-Base interactions energy: -190.681
where: short stacking energy: -108.134
Base-Backbone interact. energy: -0.165
local terms energy: -130.318110
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -31.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -304.591264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.591264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.591264 (E_RNA)
where:
Base-Base interactions energy: -188.141
where: short stacking energy: -81.733
Base-Backbone interact. energy: 2.822
local terms energy: -119.272222
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -227.521524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.521524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.521524 (E_RNA)
where:
Base-Base interactions energy: -125.484
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.758
local terms energy: -101.280085
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -259.537959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.537959 (E_RNA)
where:
Base-Base interactions energy: -160.962
where: short stacking energy: -70.971
Base-Backbone interact. energy: 0.953
local terms energy: -99.528321
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -233.813270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.813270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.813270 (E_RNA)
where:
Base-Base interactions energy: -124.853
where: short stacking energy: -74.352
Base-Backbone interact. energy: 2.295
local terms energy: -111.255061
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -165.274424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.274424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.274424 (E_RNA)
where:
Base-Base interactions energy: -61.790
where: short stacking energy: -48.973
Base-Backbone interact. energy: 0.707
local terms energy: -104.191161
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -169.520794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.520794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.520794 (E_RNA)
where:
Base-Base interactions energy: -74.665
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.740
local terms energy: -94.115496
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -4.574
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: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -151.733513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.733513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.733513 (E_RNA)
where:
Base-Base interactions energy: -58.811
where: short stacking energy: -43.460
Base-Backbone interact. energy: -1.907
local terms energy: -91.015971
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -145.220805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.220805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.220805 (E_RNA)
where:
Base-Base interactions energy: -52.747
where: short stacking energy: -42.552
Base-Backbone interact. energy: -1.039
local terms energy: -91.434129
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -344.009148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.009148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.009148 (E_RNA)
where:
Base-Base interactions energy: -214.098
where: short stacking energy: -110.681
Base-Backbone interact. energy: -0.394
local terms energy: -129.517835
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -27.617
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -322.273332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.273332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.273332 (E_RNA)
where:
Base-Base interactions energy: -179.559
where: short stacking energy: -105.988
Base-Backbone interact. energy: -1.690
local terms energy: -141.024284
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -28.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -308.863965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.863965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.863965 (E_RNA)
where:
Base-Base interactions energy: -183.059
where: short stacking energy: -99.531
Base-Backbone interact. energy: -0.306
local terms energy: -125.499401
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -18.652
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: 4, replica: 6
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -214.827374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.827374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.827374 (E_RNA)
where:
Base-Base interactions energy: -102.040
where: short stacking energy: -82.823
Base-Backbone interact. energy: -0.454
local terms energy: -112.332508
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -266.850812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.850812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.850812 (E_RNA)
where:
Base-Base interactions energy: -162.063
where: short stacking energy: -66.187
Base-Backbone interact. energy: 2.914
local terms energy: -107.701446
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -206.077375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.077375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077375 (E_RNA)
where:
Base-Base interactions energy: -100.408
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.185
local terms energy: -105.484862
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -163.822931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.822931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.822931 (E_RNA)
where:
Base-Base interactions energy: -63.644
where: short stacking energy: -49.063
Base-Backbone interact. energy: -0.639
local terms energy: -99.539394
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -29.437
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -155.656266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.656266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.656266 (E_RNA)
where:
Base-Base interactions energy: -49.929
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.717
local terms energy: -105.010366
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -148.505433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.505433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.505433 (E_RNA)
where:
Base-Base interactions energy: -70.665
where: short stacking energy: -52.650
Base-Backbone interact. energy: -0.487
local terms energy: -77.353445
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -2.433
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -134.647574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.647574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.647574 (E_RNA)
where:
Base-Base interactions energy: -51.400
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.668
local terms energy: -82.579986
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -3.174
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: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -355.190247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.190247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.190247 (E_RNA)
where:
Base-Base interactions energy: -218.160
where: short stacking energy: -127.026
Base-Backbone interact. energy: -0.683
local terms energy: -136.347426
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -368.159890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.159890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.159890 (E_RNA)
where:
Base-Base interactions energy: -236.556
where: short stacking energy: -125.034
Base-Backbone interact. energy: -0.345
local terms energy: -131.258626
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -26.760
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -332.666765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.666765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.666765 (E_RNA)
where:
Base-Base interactions energy: -202.876
where: short stacking energy: -100.084
Base-Backbone interact. energy: -3.273
local terms energy: -126.517948
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -292.453376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.453376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.453376 (E_RNA)
where:
Base-Base interactions energy: -175.458
where: short stacking energy: -90.772
Base-Backbone interact. energy: -0.280
local terms energy: -116.715616
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -217.050853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.050853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.050853 (E_RNA)
where:
Base-Base interactions energy: -105.880
where: short stacking energy: -84.926
Base-Backbone interact. energy: 0.110
local terms energy: -111.280506
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -168.439493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.439493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.439493 (E_RNA)
where:
Base-Base interactions energy: -76.883
where: short stacking energy: -65.987
Base-Backbone interact. energy: 3.785
local terms energy: -95.340898
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -157.429278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.429278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.429278 (E_RNA)
where:
Base-Base interactions energy: -62.064
where: short stacking energy: -58.762
Base-Backbone interact. energy: 0.272
local terms energy: -95.637336
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -143.020421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.020421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.020421 (E_RNA)
where:
Base-Base interactions energy: -46.349
where: short stacking energy: -44.892
Base-Backbone interact. energy: 2.862
local terms energy: -99.533707
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -10.364
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -138.595526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.595526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.595526 (E_RNA)
where:
Base-Base interactions energy: -53.958
where: short stacking energy: -31.084
Base-Backbone interact. energy: 1.854
local terms energy: -86.491363
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: 4.589
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: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -134.033052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.033052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.033052 (E_RNA)
where:
Base-Base interactions energy: -52.605
where: short stacking energy: -47.559
Base-Backbone interact. energy: -1.686
local terms energy: -79.741559
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: 4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -373.627237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.627237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.627237 (E_RNA)
where:
Base-Base interactions energy: -246.184
where: short stacking energy: -100.924
Base-Backbone interact. energy: 1.114
local terms energy: -128.557513
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -29.408
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -26.826
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -359.210261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.210261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.210261 (E_RNA)
where:
Base-Base interactions energy: -221.398
where: short stacking energy: -115.057
Base-Backbone interact. energy: -0.436
local terms energy: -137.376326
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -360.819242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.819242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.819242 (E_RNA)
where:
Base-Base interactions energy: -223.810
where: short stacking energy: -117.905
Base-Backbone interact. energy: -0.360
local terms energy: -136.649331
where:
bonds (distance) C4'-P energy: -29.112
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -32.696
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -32.400
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -285.175308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.175308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.175308 (E_RNA)
where:
Base-Base interactions energy: -167.091
where: short stacking energy: -90.328
Base-Backbone interact. energy: 1.003
local terms energy: -119.087224
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -233.779039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.779039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.779039 (E_RNA)
where:
Base-Base interactions energy: -135.743
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.628
local terms energy: -97.407383
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -179.216341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.216341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.216341 (E_RNA)
where:
Base-Base interactions energy: -71.387
where: short stacking energy: -51.875
Base-Backbone interact. energy: 1.091
local terms energy: -108.920401
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -162.046446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.046446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.046446 (E_RNA)
where:
Base-Base interactions energy: -69.768
where: short stacking energy: -47.518
Base-Backbone interact. energy: -0.789
local terms energy: -91.490090
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: 3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -157.044709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.044709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.044709 (E_RNA)
where:
Base-Base interactions energy: -53.714
where: short stacking energy: -49.514
Base-Backbone interact. energy: -0.300
local terms energy: -103.030709
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -9.152
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -149.469999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.469999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.469999 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.292
local terms energy: -95.582659
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -5.025
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -135.285842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.285842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.285842 (E_RNA)
where:
Base-Base interactions energy: -43.460
where: short stacking energy: -43.460
Base-Backbone interact. energy: -0.530
local terms energy: -91.295209
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -405.041834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.041834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.041834 (E_RNA)
where:
Base-Base interactions energy: -257.189
where: short stacking energy: -112.925
Base-Backbone interact. energy: -0.166
local terms energy: -147.686492
where:
bonds (distance) C4'-P energy: -30.848
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -19.110
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -386.074829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.074829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.074829 (E_RNA)
where:
Base-Base interactions energy: -249.948
where: short stacking energy: -133.116
Base-Backbone interact. energy: -1.166
local terms energy: -134.960232
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -31.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -348.703661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.703661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.703661 (E_RNA)
where:
Base-Base interactions energy: -216.144
where: short stacking energy: -108.506
Base-Backbone interact. energy: -0.076
local terms energy: -132.483429
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -301.390986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.390986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.390986 (E_RNA)
where:
Base-Base interactions energy: -180.971
where: short stacking energy: -109.058
Base-Backbone interact. energy: -0.446
local terms energy: -119.973982
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -273.407854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.407854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.407854 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -86.434
Base-Backbone interact. energy: -0.026
local terms energy: -114.398578
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -190.402843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.402843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.402843 (E_RNA)
where:
Base-Base interactions energy: -79.504
where: short stacking energy: -53.720
Base-Backbone interact. energy: -0.336
local terms energy: -110.562785
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -14.292
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: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -161.605152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.605152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.605152 (E_RNA)
where:
Base-Base interactions energy: -76.659
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.371
local terms energy: -84.575221
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -139.753001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.753001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.753001 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -40.558
Base-Backbone interact. energy: -0.234
local terms energy: -92.757385
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: 5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -141.838317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.838317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.838317 (E_RNA)
where:
Base-Base interactions energy: -42.576
where: short stacking energy: -39.950
Base-Backbone interact. energy: -0.353
local terms energy: -98.908752
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -5.879
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: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -136.029914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.029914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.029914 (E_RNA)
where:
Base-Base interactions energy: -55.742
where: short stacking energy: -26.744
Base-Backbone interact. energy: 1.054
local terms energy: -81.341326
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: 8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -400.924273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.924273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.924273 (E_RNA)
where:
Base-Base interactions energy: -249.890
where: short stacking energy: -115.601
Base-Backbone interact. energy: -0.443
local terms energy: -150.592083
where:
bonds (distance) C4'-P energy: -31.434
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -31.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -392.213828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.213828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.213828 (E_RNA)
where:
Base-Base interactions energy: -244.318
where: short stacking energy: -130.306
Base-Backbone interact. energy: -1.232
local terms energy: -146.664119
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -35.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -341.952883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.952883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.952883 (E_RNA)
where:
Base-Base interactions energy: -215.839
where: short stacking energy: -105.433
Base-Backbone interact. energy: 0.748
local terms energy: -126.862301
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -10.237
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -300.244555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.244555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.244555 (E_RNA)
where:
Base-Base interactions energy: -186.623
where: short stacking energy: -93.200
Base-Backbone interact. energy: 1.690
local terms energy: -115.311862
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -26.889
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -298.103029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.103029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.103029 (E_RNA)
where:
Base-Base interactions energy: -190.118
where: short stacking energy: -80.692
Base-Backbone interact. energy: -0.309
local terms energy: -107.676309
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -176.913089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.913089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.913089 (E_RNA)
where:
Base-Base interactions energy: -79.066
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.576
local terms energy: -97.270890
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -161.385360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.385360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.385360 (E_RNA)
where:
Base-Base interactions energy: -66.538
where: short stacking energy: -34.375
Base-Backbone interact. energy: -0.534
local terms energy: -94.314175
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -168.250318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.250318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.250318 (E_RNA)
where:
Base-Base interactions energy: -69.928
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.371
local terms energy: -97.951328
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -163.081738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.081738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.081738 (E_RNA)
where:
Base-Base interactions energy: -70.673
where: short stacking energy: -60.858
Base-Backbone interact. energy: 1.566
local terms energy: -93.974964
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -141.384095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.384095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.384095 (E_RNA)
where:
Base-Base interactions energy: -57.154
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.463
local terms energy: -83.766596
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -2.039
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: 11
Temperature: 0.900000
Total energy: -416.912687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.912687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.912687 (E_RNA)
where:
Base-Base interactions energy: -269.755
where: short stacking energy: -129.493
Base-Backbone interact. energy: -0.146
local terms energy: -147.011000
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -26.431
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -400.848414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.848414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.848414 (E_RNA)
where:
Base-Base interactions energy: -268.313
where: short stacking energy: -136.035
Base-Backbone interact. energy: -2.500
local terms energy: -130.035314
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -26.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -345.722478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.722478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.722478 (E_RNA)
where:
Base-Base interactions energy: -215.580
where: short stacking energy: -101.067
Base-Backbone interact. energy: -0.718
local terms energy: -129.424619
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -27.436
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: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -323.059210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.059210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.059210 (E_RNA)
where:
Base-Base interactions energy: -194.188
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.302
local terms energy: -128.569280
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -23.104
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -286.745718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.745718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.745718 (E_RNA)
where:
Base-Base interactions energy: -170.579
where: short stacking energy: -103.259
Base-Backbone interact. energy: 2.043
local terms energy: -118.209431
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -24.802
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: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -206.881480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.881480 (E_RNA)
where:
Base-Base interactions energy: -98.953
where: short stacking energy: -65.050
Base-Backbone interact. energy: 0.271
local terms energy: -108.199493
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -10.789
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: 11
Temperature: 1.200000
Total energy: -161.846962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.846962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.846962 (E_RNA)
where:
Base-Base interactions energy: -66.315
where: short stacking energy: -51.148
Base-Backbone interact. energy: -2.906
local terms energy: -92.626352
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -34.331
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -149.028960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.028960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.028960 (E_RNA)
where:
Base-Base interactions energy: -60.409
where: short stacking energy: -45.607
Base-Backbone interact. energy: -0.608
local terms energy: -88.012592
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -145.822136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.822136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.822136 (E_RNA)
where:
Base-Base interactions energy: -50.042
where: short stacking energy: -36.461
Base-Backbone interact. energy: -0.562
local terms energy: -95.218529
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: 2.497
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: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -140.734718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.734718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.734718 (E_RNA)
where:
Base-Base interactions energy: -52.099
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.836
local terms energy: -87.800405
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -0.615
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: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -406.117860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.117860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.117860 (E_RNA)
where:
Base-Base interactions energy: -257.796
where: short stacking energy: -122.376
Base-Backbone interact. energy: -0.215
local terms energy: -148.107496
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -19.296
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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -388.700674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.700674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.700674 (E_RNA)
where:
Base-Base interactions energy: -250.883
where: short stacking energy: -112.578
Base-Backbone interact. energy: -2.718
local terms energy: -135.099872
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -326.433727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.433727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.433727 (E_RNA)
where:
Base-Base interactions energy: -194.786
where: short stacking energy: -101.291
Base-Backbone interact. energy: -0.657
local terms energy: -130.990652
where:
bonds (distance) C4'-P energy: -32.442
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -322.013412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.013412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.013412 (E_RNA)
where:
Base-Base interactions energy: -207.228
where: short stacking energy: -95.382
Base-Backbone interact. energy: -0.180
local terms energy: -114.605242
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -295.382846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.382846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.382846 (E_RNA)
where:
Base-Base interactions energy: -174.981
where: short stacking energy: -94.300
Base-Backbone interact. energy: 1.377
local terms energy: -121.778475
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -175.424254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.424254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.424254 (E_RNA)
where:
Base-Base interactions energy: -74.028
where: short stacking energy: -45.071
Base-Backbone interact. energy: -1.005
local terms energy: -100.391419
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -174.759234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.759234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.759234 (E_RNA)
where:
Base-Base interactions energy: -61.374
where: short stacking energy: -51.504
Base-Backbone interact. energy: -0.296
local terms energy: -113.088703
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -180.505872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.505872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.505872 (E_RNA)
where:
Base-Base interactions energy: -84.477
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.803
local terms energy: -95.225713
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -146.458765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.458765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.458765 (E_RNA)
where:
Base-Base interactions energy: -57.585
where: short stacking energy: -41.934
Base-Backbone interact. energy: 0.182
local terms energy: -89.055671
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -129.282978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.282978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.282978 (E_RNA)
where:
Base-Base interactions energy: -38.127
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.384
local terms energy: -90.771957
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -1.254
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: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -405.919000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.919000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.919000 (E_RNA)
where:
Base-Base interactions energy: -260.734
where: short stacking energy: -119.239
Base-Backbone interact. energy: -1.620
local terms energy: -143.564755
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -34.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -397.475277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.475277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.475277 (E_RNA)
where:
Base-Base interactions energy: -254.676
where: short stacking energy: -128.825
Base-Backbone interact. energy: -0.934
local terms energy: -141.865350
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -29.318
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -322.275167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.275167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.275167 (E_RNA)
where:
Base-Base interactions energy: -204.342
where: short stacking energy: -92.803
Base-Backbone interact. energy: 0.656
local terms energy: -118.589542
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -265.689399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.689399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.689399 (E_RNA)
where:
Base-Base interactions energy: -150.117
where: short stacking energy: -94.992
Base-Backbone interact. energy: -0.964
local terms energy: -114.608170
where:
bonds (distance) C4'-P energy: -29.433
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -258.535816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.535816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.535816 (E_RNA)
where:
Base-Base interactions energy: -143.419
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.206
local terms energy: -114.911410
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -253.041461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.041461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.041461 (E_RNA)
where:
Base-Base interactions energy: -129.480
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.345
local terms energy: -123.216493
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -26.727
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -262.840964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.840964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.840964 (E_RNA)
where:
Base-Base interactions energy: -146.771
where: short stacking energy: -85.413
Base-Backbone interact. energy: -0.108
local terms energy: -115.961746
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -206.634065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.634065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.634065 (E_RNA)
where:
Base-Base interactions energy: -114.054
where: short stacking energy: -55.867
Base-Backbone interact. energy: -0.276
local terms energy: -92.304266
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -1.921
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: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -154.727331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.727331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.727331 (E_RNA)
where:
Base-Base interactions energy: -51.732
where: short stacking energy: -44.453
Base-Backbone interact. energy: 0.084
local terms energy: -103.079558
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -150.834430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.834430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.834430 (E_RNA)
where:
Base-Base interactions energy: -63.608
where: short stacking energy: -50.060
Base-Backbone interact. energy: 0.001
local terms energy: -87.227255
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -414.532609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.532609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.532609 (E_RNA)
where:
Base-Base interactions energy: -271.558
where: short stacking energy: -133.696
Base-Backbone interact. energy: -0.776
local terms energy: -142.197983
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -26.766
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -33.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -391.660903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.660903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.660903 (E_RNA)
where:
Base-Base interactions energy: -256.847
where: short stacking energy: -119.926
Base-Backbone interact. energy: -0.211
local terms energy: -134.602955
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -30.950
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -36.384
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: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -336.235105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.235105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.235105 (E_RNA)
where:
Base-Base interactions energy: -192.416
where: short stacking energy: -103.930
Base-Backbone interact. energy: -0.784
local terms energy: -143.035183
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -30.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -282.847673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.847673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.847673 (E_RNA)
where:
Base-Base interactions energy: -165.364
where: short stacking energy: -109.653
Base-Backbone interact. energy: -0.056
local terms energy: -117.428080
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -262.818666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.818666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.818666 (E_RNA)
where:
Base-Base interactions energy: -161.230
where: short stacking energy: -88.184
Base-Backbone interact. energy: 2.915
local terms energy: -104.503371
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -11.318
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: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -224.930228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.930228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.930228 (E_RNA)
where:
Base-Base interactions energy: -116.753
where: short stacking energy: -81.374
Base-Backbone interact. energy: -0.405
local terms energy: -107.772447
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -27.776
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -242.705446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.705446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.705446 (E_RNA)
where:
Base-Base interactions energy: -138.281
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.281
local terms energy: -104.142769
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -27.449
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -165.816751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.816751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.816751 (E_RNA)
where:
Base-Base interactions energy: -74.729
where: short stacking energy: -52.646
Base-Backbone interact. energy: 0.878
local terms energy: -91.965696
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -7.345
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: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -130.867403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.867403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.867403 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -32.050
Base-Backbone interact. energy: -0.797
local terms energy: -87.190846
where:
bonds (distance) C4'-P energy: -24.536
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -30.425
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: 5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -139.273904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.273904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.273904 (E_RNA)
where:
Base-Base interactions energy: -40.353
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.274
local terms energy: -98.647599
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -7.204
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: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -417.474459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.474459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.474459 (E_RNA)
where:
Base-Base interactions energy: -283.133
where: short stacking energy: -124.204
Base-Backbone interact. energy: -0.694
local terms energy: -133.647316
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -395.743847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.743847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.743847 (E_RNA)
where:
Base-Base interactions energy: -249.912
where: short stacking energy: -106.792
Base-Backbone interact. energy: -0.465
local terms energy: -145.366995
where:
bonds (distance) C4'-P energy: -32.434
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -16.480
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: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -323.310011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.310011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.310011 (E_RNA)
where:
Base-Base interactions energy: -188.896
where: short stacking energy: -102.023
Base-Backbone interact. energy: -0.685
local terms energy: -133.728260
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -23.072
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -247.327389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.327389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.327389 (E_RNA)
where:
Base-Base interactions energy: -121.128
where: short stacking energy: -76.560
Base-Backbone interact. energy: -0.194
local terms energy: -126.004668
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -256.755770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.755770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.755770 (E_RNA)
where:
Base-Base interactions energy: -137.946
where: short stacking energy: -69.823
Base-Backbone interact. energy: 0.408
local terms energy: -119.217567
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -212.465815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465815 (E_RNA)
where:
Base-Base interactions energy: -119.699
where: short stacking energy: -68.017
Base-Backbone interact. energy: 1.649
local terms energy: -94.415895
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -2.665
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: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -202.513184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.513184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513184 (E_RNA)
where:
Base-Base interactions energy: -93.216
where: short stacking energy: -70.244
Base-Backbone interact. energy: -1.089
local terms energy: -108.208054
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -19.856
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -154.376038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.376038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.376038 (E_RNA)
where:
Base-Base interactions energy: -68.787
where: short stacking energy: -47.063
Base-Backbone interact. energy: 0.361
local terms energy: -85.950806
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -153.634421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.634421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.634421 (E_RNA)
where:
Base-Base interactions energy: -66.702
where: short stacking energy: -41.571
Base-Backbone interact. energy: -0.356
local terms energy: -86.576227
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -0.620
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: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -144.560044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.560044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.560044 (E_RNA)
where:
Base-Base interactions energy: -54.313
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.002
local terms energy: -90.245548
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -420.845706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.845706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.845706 (E_RNA)
where:
Base-Base interactions energy: -278.463
where: short stacking energy: -125.702
Base-Backbone interact. energy: -1.253
local terms energy: -141.129631
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -33.796
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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -382.872069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.872069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.872069 (E_RNA)
where:
Base-Base interactions energy: -245.632
where: short stacking energy: -122.753
Base-Backbone interact. energy: -0.148
local terms energy: -137.092042
where:
bonds (distance) C4'-P energy: -27.328
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -20.338
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -329.234737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.234737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.234737 (E_RNA)
where:
Base-Base interactions energy: -213.738
where: short stacking energy: -111.022
Base-Backbone interact. energy: -0.449
local terms energy: -115.048338
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -300.461032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.461032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.461032 (E_RNA)
where:
Base-Base interactions energy: -175.695
where: short stacking energy: -93.946
Base-Backbone interact. energy: -0.768
local terms energy: -123.998406
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -15.378
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: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -236.304423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.304423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.304423 (E_RNA)
where:
Base-Base interactions energy: -120.868
where: short stacking energy: -74.526
Base-Backbone interact. energy: -0.296
local terms energy: -115.139938
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -251.763304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.763304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.763304 (E_RNA)
where:
Base-Base interactions energy: -134.204
where: short stacking energy: -83.965
Base-Backbone interact. energy: -0.332
local terms energy: -117.226449
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -224.064609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.064609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.064609 (E_RNA)
where:
Base-Base interactions energy: -120.392
where: short stacking energy: -66.227
Base-Backbone interact. energy: 2.131
local terms energy: -105.803714
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -10.615
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: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -147.332639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.332639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.332639 (E_RNA)
where:
Base-Base interactions energy: -66.907
where: short stacking energy: -33.515
Base-Backbone interact. energy: -0.686
local terms energy: -79.739430
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: 9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -145.789756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.789756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.789756 (E_RNA)
where:
Base-Base interactions energy: -54.224
where: short stacking energy: -45.450
Base-Backbone interact. energy: 0.064
local terms energy: -91.629454
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -143.032600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.032600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.032600 (E_RNA)
where:
Base-Base interactions energy: -55.441
where: short stacking energy: -54.463
Base-Backbone interact. energy: -0.368
local terms energy: -87.223510
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -414.841623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.841623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.841623 (E_RNA)
where:
Base-Base interactions energy: -277.134
where: short stacking energy: -120.451
Base-Backbone interact. energy: 0.433
local terms energy: -138.140143
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -30.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -380.491229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.491229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.491229 (E_RNA)
where:
Base-Base interactions energy: -230.754
where: short stacking energy: -120.990
Base-Backbone interact. energy: -0.948
local terms energy: -148.789254
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -30.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -338.908639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.908639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.908639 (E_RNA)
where:
Base-Base interactions energy: -210.960
where: short stacking energy: -105.842
Base-Backbone interact. energy: 1.796
local terms energy: -129.744107
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -318.732291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.732291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.732291 (E_RNA)
where:
Base-Base interactions energy: -199.544
where: short stacking energy: -88.731
Base-Backbone interact. energy: -0.859
local terms energy: -118.329271
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -240.384920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.384920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.384920 (E_RNA)
where:
Base-Base interactions energy: -130.037
where: short stacking energy: -76.009
Base-Backbone interact. energy: -0.234
local terms energy: -110.114242
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -211.701974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.701974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.701974 (E_RNA)
where:
Base-Base interactions energy: -111.244
where: short stacking energy: -57.190
Base-Backbone interact. energy: 0.931
local terms energy: -101.388659
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -29.011
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -8.541
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: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -235.406521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.406521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.406521 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.041
local terms energy: -103.641962
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -151.258870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.258870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.258870 (E_RNA)
where:
Base-Base interactions energy: -39.231
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.199
local terms energy: -111.828962
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -143.631226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.631226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.631226 (E_RNA)
where:
Base-Base interactions energy: -54.850
where: short stacking energy: -44.688
Base-Backbone interact. energy: -0.354
local terms energy: -88.426639
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -7.715
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: 17
Temperature: 1.350000
Total energy: -135.462292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.462292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.462292 (E_RNA)
where:
Base-Base interactions energy: -46.689
where: short stacking energy: -38.014
Base-Backbone interact. energy: -0.166
local terms energy: -88.606793
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -16.152
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -418.742400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.742400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.742400 (E_RNA)
where:
Base-Base interactions energy: -269.966
where: short stacking energy: -130.849
Base-Backbone interact. energy: -3.824
local terms energy: -144.952517
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -30.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -385.448112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.448112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.448112 (E_RNA)
where:
Base-Base interactions energy: -243.711
where: short stacking energy: -116.190
Base-Backbone interact. energy: -0.014
local terms energy: -141.722758
where:
bonds (distance) C4'-P energy: -29.267
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -28.322
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: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -353.055206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.055206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.055206 (E_RNA)
where:
Base-Base interactions energy: -222.817
where: short stacking energy: -105.662
Base-Backbone interact. energy: -0.549
local terms energy: -129.688905
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -19.307
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: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -345.173200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.173200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.173200 (E_RNA)
where:
Base-Base interactions energy: -220.208
where: short stacking energy: -114.190
Base-Backbone interact. energy: -1.179
local terms energy: -123.785836
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -15.111
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: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -241.627370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.627370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.627370 (E_RNA)
where:
Base-Base interactions energy: -113.814
where: short stacking energy: -83.909
Base-Backbone interact. energy: -0.337
local terms energy: -127.476501
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -215.301809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.301809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301809 (E_RNA)
where:
Base-Base interactions energy: -114.426
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.713
local terms energy: -100.162839
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -221.640064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.640064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.640064 (E_RNA)
where:
Base-Base interactions energy: -116.046
where: short stacking energy: -66.327
Base-Backbone interact. energy: -1.008
local terms energy: -104.586089
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -25.567
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -4.931
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: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -163.837182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.837182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.837182 (E_RNA)
where:
Base-Base interactions energy: -75.963
where: short stacking energy: -49.271
Base-Backbone interact. energy: 0.023
local terms energy: -87.897673
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -20.046
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -190.480670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.480670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.480670 (E_RNA)
where:
Base-Base interactions energy: -97.845
where: short stacking energy: -41.835
Base-Backbone interact. energy: -0.673
local terms energy: -91.962880
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -125.681248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.681248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.681248 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -34.056
Base-Backbone interact. energy: -1.165
local terms energy: -84.064519
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: 6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -421.774561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.774561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.774561 (E_RNA)
where:
Base-Base interactions energy: -270.059
where: short stacking energy: -118.614
Base-Backbone interact. energy: -2.512
local terms energy: -149.204021
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -32.703
flat angles P-C4'-P energy: -23.637
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: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -387.153224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.153224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.153224 (E_RNA)
where:
Base-Base interactions energy: -252.830
where: short stacking energy: -116.262
Base-Backbone interact. energy: -1.570
local terms energy: -132.753299
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -380.551327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.551327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.551327 (E_RNA)
where:
Base-Base interactions energy: -240.449
where: short stacking energy: -115.039
Base-Backbone interact. energy: -0.638
local terms energy: -139.464191
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -34.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -340.318260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.318260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.318260 (E_RNA)
where:
Base-Base interactions energy: -219.182
where: short stacking energy: -91.823
Base-Backbone interact. energy: -0.673
local terms energy: -120.463892
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -216.886592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886592 (E_RNA)
where:
Base-Base interactions energy: -120.394
where: short stacking energy: -65.296
Base-Backbone interact. energy: 0.661
local terms energy: -97.153464
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -7.981
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: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -226.985974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.985974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.985974 (E_RNA)
where:
Base-Base interactions energy: -120.744
where: short stacking energy: -77.137
Base-Backbone interact. energy: -1.137
local terms energy: -105.104892
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -13.098
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -248.363055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.363055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.363055 (E_RNA)
where:
Base-Base interactions energy: -142.537
where: short stacking energy: -78.459
Base-Backbone interact. energy: -1.027
local terms energy: -104.799075
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -12.272
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -234.653729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.653729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.653729 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.200
local terms energy: -104.875383
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -23.190
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -168.603804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.603804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.603804 (E_RNA)
where:
Base-Base interactions energy: -69.270
where: short stacking energy: -55.625
Base-Backbone interact. energy: -1.298
local terms energy: -98.035545
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -126.426781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.426781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.426781 (E_RNA)
where:
Base-Base interactions energy: -53.700
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.328
local terms energy: -72.399474
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -402.970737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.970737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.970737 (E_RNA)
where:
Base-Base interactions energy: -257.139
where: short stacking energy: -136.913
Base-Backbone interact. energy: -0.674
local terms energy: -145.157848
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -39.352
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -391.756533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.756533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.756533 (E_RNA)
where:
Base-Base interactions energy: -257.765
where: short stacking energy: -129.487
Base-Backbone interact. energy: -1.217
local terms energy: -132.774723
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -17.995
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: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -400.427473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.427473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.427473 (E_RNA)
where:
Base-Base interactions energy: -267.792
where: short stacking energy: -118.299
Base-Backbone interact. energy: -0.023
local terms energy: -132.611691
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -349.062910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.062910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.062910 (E_RNA)
where:
Base-Base interactions energy: -218.917
where: short stacking energy: -109.604
Base-Backbone interact. energy: -0.612
local terms energy: -129.533763
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -19.806
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: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -233.924364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.924364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.924364 (E_RNA)
where:
Base-Base interactions energy: -133.422
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.734
local terms energy: -99.768793
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -27.339
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -215.829189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829189 (E_RNA)
where:
Base-Base interactions energy: -102.710
where: short stacking energy: -66.863
Base-Backbone interact. energy: 3.711
local terms energy: -116.830320
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -29.278
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -10.319
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: 20
Temperature: 1.200000
Total energy: -242.564058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.564058 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -58.470
Base-Backbone interact. energy: -1.797
local terms energy: -109.145126
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -237.716686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.716686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.716686 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -74.674
Base-Backbone interact. energy: -0.437
local terms energy: -106.627946
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -13.996
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: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -133.641490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.641490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.641490 (E_RNA)
where:
Base-Base interactions energy: -59.503
where: short stacking energy: -51.867
Base-Backbone interact. energy: 0.112
local terms energy: -74.250375
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: 0.339
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: 20
Temperature: 1.350000
Total energy: -139.998698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.998698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.998698 (E_RNA)
where:
Base-Base interactions energy: -59.167
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.569
local terms energy: -80.263430
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -414.038217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.038217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.038217 (E_RNA)
where:
Base-Base interactions energy: -273.004
where: short stacking energy: -121.619
Base-Backbone interact. energy: 0.163
local terms energy: -141.197564
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -12.060
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: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -404.909017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.909017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.909017 (E_RNA)
where:
Base-Base interactions energy: -263.965
where: short stacking energy: -113.355
Base-Backbone interact. energy: -0.819
local terms energy: -140.125476
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -32.234
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -29.886
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: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -394.687901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.687901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.687901 (E_RNA)
where:
Base-Base interactions energy: -251.439
where: short stacking energy: -124.813
Base-Backbone interact. energy: -0.788
local terms energy: -142.460925
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -32.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -348.469629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.469629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.469629 (E_RNA)
where:
Base-Base interactions energy: -222.283
where: short stacking energy: -96.209
Base-Backbone interact. energy: -1.031
local terms energy: -125.155364
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -21.427
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -261.604678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.604678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.604678 (E_RNA)
where:
Base-Base interactions energy: -141.877
where: short stacking energy: -103.284
Base-Backbone interact. energy: -1.021
local terms energy: -118.706956
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -24.616
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -244.414263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.414263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.414263 (E_RNA)
where:
Base-Base interactions energy: -145.946
where: short stacking energy: -87.765
Base-Backbone interact. energy: -1.325
local terms energy: -97.142858
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -219.252458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.252458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.252458 (E_RNA)
where:
Base-Base interactions energy: -134.746
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.129
local terms energy: -84.377787
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -219.128326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.128326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.128326 (E_RNA)
where:
Base-Base interactions energy: -124.385
where: short stacking energy: -49.449
Base-Backbone interact. energy: -0.522
local terms energy: -94.220619
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -9.218
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: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -135.029422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.029422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.029422 (E_RNA)
where:
Base-Base interactions energy: -50.785
where: short stacking energy: -40.811
Base-Backbone interact. energy: -0.240
local terms energy: -84.004161
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: 5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -131.567254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.567254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.567254 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -40.203
Base-Backbone interact. energy: -0.494
local terms energy: -86.169665
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -32.900
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: 3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -418.307907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.307907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.307907 (E_RNA)
where:
Base-Base interactions energy: -284.027
where: short stacking energy: -114.056
Base-Backbone interact. energy: -1.618
local terms energy: -132.663095
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -19.670
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: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -386.666708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.666708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.666708 (E_RNA)
where:
Base-Base interactions energy: -259.836
where: short stacking energy: -98.044
Base-Backbone interact. energy: -2.649
local terms energy: -124.182316
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -22.681
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: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -384.473380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.473380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.473380 (E_RNA)
where:
Base-Base interactions energy: -255.571
where: short stacking energy: -121.536
Base-Backbone interact. energy: -2.553
local terms energy: -126.349623
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -27.243
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: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -330.680442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.680442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.680442 (E_RNA)
where:
Base-Base interactions energy: -202.361
where: short stacking energy: -72.636
Base-Backbone interact. energy: -1.285
local terms energy: -127.034864
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -262.282999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.282999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.282999 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.068
local terms energy: -129.797664
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -244.051144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.051144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.051144 (E_RNA)
where:
Base-Base interactions energy: -124.636
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.595
local terms energy: -118.820391
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -23.381
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -217.554563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554563 (E_RNA)
where:
Base-Base interactions energy: -118.942
where: short stacking energy: -80.138
Base-Backbone interact. energy: -0.205
local terms energy: -98.408178
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -13.275
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: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -203.021981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.021981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.021981 (E_RNA)
where:
Base-Base interactions energy: -118.579
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.137
local terms energy: -84.305920
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -17.502
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -150.290143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.290143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.290143 (E_RNA)
where:
Base-Base interactions energy: -61.656
where: short stacking energy: -33.774
Base-Backbone interact. energy: -1.375
local terms energy: -87.258384
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: 4.210
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: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -133.948013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.948013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.948013 (E_RNA)
where:
Base-Base interactions energy: -45.991
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.180
local terms energy: -87.776796
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: 0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -429.340204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.340204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.340204 (E_RNA)
where:
Base-Base interactions energy: -286.122
where: short stacking energy: -124.469
Base-Backbone interact. energy: -0.225
local terms energy: -142.993515
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -33.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -392.649433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.649433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.649433 (E_RNA)
where:
Base-Base interactions energy: -259.533
where: short stacking energy: -124.716
Base-Backbone interact. energy: -0.274
local terms energy: -132.842865
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -402.792768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.792768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.792768 (E_RNA)
where:
Base-Base interactions energy: -258.886
where: short stacking energy: -101.687
Base-Backbone interact. energy: -1.203
local terms energy: -142.703420
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -37.838
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: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -345.779707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.779707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.779707 (E_RNA)
where:
Base-Base interactions energy: -227.913
where: short stacking energy: -85.587
Base-Backbone interact. energy: -0.552
local terms energy: -117.314936
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -282.004528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.004528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.004528 (E_RNA)
where:
Base-Base interactions energy: -157.622
where: short stacking energy: -92.843
Base-Backbone interact. energy: -0.758
local terms energy: -123.624902
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -29.960
flat angles C4'-P-C4' energy: -28.709
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -240.594812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.594812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.594812 (E_RNA)
where:
Base-Base interactions energy: -130.734
where: short stacking energy: -74.810
Base-Backbone interact. energy: 0.331
local terms energy: -110.191359
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -160.085318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.085318 (E_RNA)
where:
Base-Base interactions energy: -62.444
where: short stacking energy: -58.086
Base-Backbone interact. energy: 0.013
local terms energy: -97.654042
where:
bonds (distance) C4'-P energy: -31.225
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: 3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -194.432515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.432515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.432515 (E_RNA)
where:
Base-Base interactions energy: -99.914
where: short stacking energy: -68.940
Base-Backbone interact. energy: 0.538
local terms energy: -95.056519
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -18.709
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -161.550718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.550718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.550718 (E_RNA)
where:
Base-Base interactions energy: -69.825
where: short stacking energy: -55.008
Base-Backbone interact. energy: 0.275
local terms energy: -92.000720
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -131.778022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.778022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.778022 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.225
local terms energy: -91.432933
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: 2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -444.086995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.086995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.086995 (E_RNA)
where:
Base-Base interactions energy: -293.644
where: short stacking energy: -148.230
Base-Backbone interact. energy: -0.798
local terms energy: -149.644360
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -40.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -380.775695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.775695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.775695 (E_RNA)
where:
Base-Base interactions energy: -250.614
where: short stacking energy: -121.205
Base-Backbone interact. energy: 0.041
local terms energy: -130.202490
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -390.992333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.992333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.992333 (E_RNA)
where:
Base-Base interactions energy: -256.646
where: short stacking energy: -116.617
Base-Backbone interact. energy: -0.077
local terms energy: -134.269119
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -19.945
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: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -391.794276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.794276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.794276 (E_RNA)
where:
Base-Base interactions energy: -249.755
where: short stacking energy: -122.978
Base-Backbone interact. energy: -1.218
local terms energy: -140.821556
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -36.244
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: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -299.602738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.602738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.602738 (E_RNA)
where:
Base-Base interactions energy: -171.467
where: short stacking energy: -78.422
Base-Backbone interact. energy: -0.777
local terms energy: -127.358895
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -241.636094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.636094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.636094 (E_RNA)
where:
Base-Base interactions energy: -139.404
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.474
local terms energy: -101.758340
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -33.121
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -191.468349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468349 (E_RNA)
where:
Base-Base interactions energy: -86.958
where: short stacking energy: -48.401
Base-Backbone interact. energy: -0.466
local terms energy: -104.044000
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -30.890
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -156.092293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.092293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.092293 (E_RNA)
where:
Base-Base interactions energy: -59.459
where: short stacking energy: -51.999
Base-Backbone interact. energy: 0.010
local terms energy: -96.643234
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -29.383
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -137.102801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.102801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.102801 (E_RNA)
where:
Base-Base interactions energy: -47.843
where: short stacking energy: -42.509
Base-Backbone interact. energy: 5.405
local terms energy: -94.664967
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -134.153905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.153905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.153905 (E_RNA)
where:
Base-Base interactions energy: -50.067
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.247
local terms energy: -83.839311
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -446.454856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.454856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.454856 (E_RNA)
where:
Base-Base interactions energy: -297.576
where: short stacking energy: -136.139
Base-Backbone interact. energy: -0.986
local terms energy: -147.893316
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -421.967007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.967007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.967007 (E_RNA)
where:
Base-Base interactions energy: -291.471
where: short stacking energy: -116.300
Base-Backbone interact. energy: -0.344
local terms energy: -130.151945
where:
bonds (distance) C4'-P energy: -24.863
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -372.639611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.639611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.639611 (E_RNA)
where:
Base-Base interactions energy: -238.365
where: short stacking energy: -112.316
Base-Backbone interact. energy: -2.512
local terms energy: -131.762678
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -28.674
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: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -373.058786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.058786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.058786 (E_RNA)
where:
Base-Base interactions energy: -246.402
where: short stacking energy: -112.444
Base-Backbone interact. energy: -0.020
local terms energy: -126.636280
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -272.307086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.307086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.307086 (E_RNA)
where:
Base-Base interactions energy: -156.685
where: short stacking energy: -97.217
Base-Backbone interact. energy: -0.394
local terms energy: -115.227834
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -209.824874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.824874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.824874 (E_RNA)
where:
Base-Base interactions energy: -106.894
where: short stacking energy: -61.685
Base-Backbone interact. energy: 1.200
local terms energy: -104.130230
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -219.713058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.713058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.713058 (E_RNA)
where:
Base-Base interactions energy: -106.589
where: short stacking energy: -61.265
Base-Backbone interact. energy: 1.257
local terms energy: -114.380912
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -163.433703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.433703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.433703 (E_RNA)
where:
Base-Base interactions energy: -66.246
where: short stacking energy: -61.060
Base-Backbone interact. energy: -0.037
local terms energy: -97.151329
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -137.846903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.846903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.846903 (E_RNA)
where:
Base-Base interactions energy: -49.859
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.781
local terms energy: -87.207257
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -133.439402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.439402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.439402 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.095
local terms energy: -91.729830
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -457.031074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.031074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.031074 (E_RNA)
where:
Base-Base interactions energy: -299.463
where: short stacking energy: -146.270
Base-Backbone interact. energy: -0.253
local terms energy: -157.314625
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -43.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -407.755350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.755350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.755350 (E_RNA)
where:
Base-Base interactions energy: -274.297
where: short stacking energy: -114.394
Base-Backbone interact. energy: 0.527
local terms energy: -133.985039
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -28.815
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -401.033370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.033370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.033370 (E_RNA)
where:
Base-Base interactions energy: -255.836
where: short stacking energy: -126.884
Base-Backbone interact. energy: -0.853
local terms energy: -144.344686
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -31.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -368.456570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.456570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.456570 (E_RNA)
where:
Base-Base interactions energy: -242.465
where: short stacking energy: -104.733
Base-Backbone interact. energy: -1.236
local terms energy: -124.755856
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -26.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -264.450288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.450288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.450288 (E_RNA)
where:
Base-Base interactions energy: -148.061
where: short stacking energy: -79.124
Base-Backbone interact. energy: -0.260
local terms energy: -116.130050
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -12.578
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: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -223.185790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.185790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.185790 (E_RNA)
where:
Base-Base interactions energy: -120.282
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.280
local terms energy: -102.624214
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -222.379820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.379820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.379820 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -61.356
Base-Backbone interact. energy: -2.963
local terms energy: -104.171893
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -176.683317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683317 (E_RNA)
where:
Base-Base interactions energy: -76.177
where: short stacking energy: -39.247
Base-Backbone interact. energy: -0.455
local terms energy: -100.050825
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -15.775
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: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -137.655074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.655074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.655074 (E_RNA)
where:
Base-Base interactions energy: -54.469
where: short stacking energy: -41.007
Base-Backbone interact. energy: -1.157
local terms energy: -82.028488
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: 3.159
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: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -141.017418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.017418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.017418 (E_RNA)
where:
Base-Base interactions energy: -66.207
where: short stacking energy: -46.368
Base-Backbone interact. energy: -3.290
local terms energy: -71.520280
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -446.143043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.143043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.143043 (E_RNA)
where:
Base-Base interactions energy: -284.785
where: short stacking energy: -130.049
Base-Backbone interact. energy: -1.773
local terms energy: -159.585614
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -26.251
tors. eta vs tors. theta energy: -40.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -396.772228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.772228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.772228 (E_RNA)
where:
Base-Base interactions energy: -245.060
where: short stacking energy: -132.337
Base-Backbone interact. energy: 0.207
local terms energy: -151.919300
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -35.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -416.747571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.747571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.747571 (E_RNA)
where:
Base-Base interactions energy: -281.415
where: short stacking energy: -120.960
Base-Backbone interact. energy: -1.567
local terms energy: -133.765454
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -18.698
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -344.280874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.280874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.280874 (E_RNA)
where:
Base-Base interactions energy: -210.133
where: short stacking energy: -99.210
Base-Backbone interact. energy: -0.609
local terms energy: -133.539070
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -328.474758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.474758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.474758 (E_RNA)
where:
Base-Base interactions energy: -200.879
where: short stacking energy: -111.473
Base-Backbone interact. energy: -0.568
local terms energy: -127.027180
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -23.717
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -261.098359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.098359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.098359 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -79.354
Base-Backbone interact. energy: -0.366
local terms energy: -118.455411
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -23.153
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: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -232.757944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.757944 (E_RNA)
where:
Base-Base interactions energy: -109.755
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.242
local terms energy: -122.760113
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -155.524776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.524776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.524776 (E_RNA)
where:
Base-Base interactions energy: -53.173
where: short stacking energy: -47.854
Base-Backbone interact. energy: -0.614
local terms energy: -101.737655
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -147.519959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.519959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.519959 (E_RNA)
where:
Base-Base interactions energy: -65.517
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.121
local terms energy: -81.881677
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -167.308306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.308306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.308306 (E_RNA)
where:
Base-Base interactions energy: -76.331
where: short stacking energy: -40.719
Base-Backbone interact. energy: 0.312
local terms energy: -91.289323
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -444.442231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.442231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.442231 (E_RNA)
where:
Base-Base interactions energy: -294.613
where: short stacking energy: -129.926
Base-Backbone interact. energy: -0.145
local terms energy: -149.684912
where:
bonds (distance) C4'-P energy: -32.415
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -37.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -394.753959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.753959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.753959 (E_RNA)
where:
Base-Base interactions energy: -259.657
where: short stacking energy: -115.764
Base-Backbone interact. energy: -0.720
local terms energy: -134.376696
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -36.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -410.436477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.436477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.436477 (E_RNA)
where:
Base-Base interactions energy: -283.546
where: short stacking energy: -105.516
Base-Backbone interact. energy: -1.105
local terms energy: -125.784543
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -360.822021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.822021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.822021 (E_RNA)
where:
Base-Base interactions energy: -235.841
where: short stacking energy: -109.552
Base-Backbone interact. energy: -0.124
local terms energy: -124.857345
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -307.625387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.625387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.625387 (E_RNA)
where:
Base-Base interactions energy: -185.697
where: short stacking energy: -91.361
Base-Backbone interact. energy: 0.108
local terms energy: -122.036416
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -24.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -254.005997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.005997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.005997 (E_RNA)
where:
Base-Base interactions energy: -145.865
where: short stacking energy: -84.893
Base-Backbone interact. energy: 1.064
local terms energy: -109.204957
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -187.112767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.112767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.112767 (E_RNA)
where:
Base-Base interactions energy: -85.497
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.065
local terms energy: -101.551231
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -154.013536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.013536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.013536 (E_RNA)
where:
Base-Base interactions energy: -53.901
where: short stacking energy: -38.572
Base-Backbone interact. energy: -1.262
local terms energy: -98.850644
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: 3.473
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: 28
Temperature: 1.300000
Total energy: -141.829269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.829269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.829269 (E_RNA)
where:
Base-Base interactions energy: -49.972
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.435
local terms energy: -92.292142
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: 6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -141.708307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.708307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.708307 (E_RNA)
where:
Base-Base interactions energy: -50.335
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.107
local terms energy: -91.266768
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -456.506533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.506533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.506533 (E_RNA)
where:
Base-Base interactions energy: -305.139
where: short stacking energy: -140.341
Base-Backbone interact. energy: -1.187
local terms energy: -150.180431
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -417.075142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.075142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.075142 (E_RNA)
where:
Base-Base interactions energy: -276.299
where: short stacking energy: -101.948
Base-Backbone interact. energy: -1.718
local terms energy: -139.058139
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -380.369006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.369006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.369006 (E_RNA)
where:
Base-Base interactions energy: -229.993
where: short stacking energy: -116.515
Base-Backbone interact. energy: -1.307
local terms energy: -149.069713
where:
bonds (distance) C4'-P energy: -34.401
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -329.446037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.446037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.446037 (E_RNA)
where:
Base-Base interactions energy: -206.680
where: short stacking energy: -88.954
Base-Backbone interact. energy: -0.534
local terms energy: -122.232323
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -334.978724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.978724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.978724 (E_RNA)
where:
Base-Base interactions energy: -203.419
where: short stacking energy: -100.412
Base-Backbone interact. energy: -1.009
local terms energy: -130.551098
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -26.354
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: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -255.920424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.920424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.920424 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -71.126
Base-Backbone interact. energy: -0.081
local terms energy: -103.161051
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -180.857856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.857856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.857856 (E_RNA)
where:
Base-Base interactions energy: -82.109
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.428
local terms energy: -98.320747
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -155.800474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.800474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.800474 (E_RNA)
where:
Base-Base interactions energy: -66.593
where: short stacking energy: -57.507
Base-Backbone interact. energy: 1.922
local terms energy: -91.128860
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -8.826
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: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -137.701287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.701287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.701287 (E_RNA)
where:
Base-Base interactions energy: -61.935
where: short stacking energy: -43.193
Base-Backbone interact. energy: -0.427
local terms energy: -75.340054
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -134.901476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.901476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.901476 (E_RNA)
where:
Base-Base interactions energy: -47.483
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.438
local terms energy: -86.979998
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -439.537898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.537898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.537898 (E_RNA)
where:
Base-Base interactions energy: -292.514
where: short stacking energy: -132.346
Base-Backbone interact. energy: -1.501
local terms energy: -145.522619
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -42.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -413.954621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.954621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.954621 (E_RNA)
where:
Base-Base interactions energy: -278.572
where: short stacking energy: -108.139
Base-Backbone interact. energy: -1.512
local terms energy: -133.870115
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -393.213206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.213206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.213206 (E_RNA)
where:
Base-Base interactions energy: -247.307
where: short stacking energy: -111.853
Base-Backbone interact. energy: -2.471
local terms energy: -143.435911
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -33.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -348.336344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.336344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.336344 (E_RNA)
where:
Base-Base interactions energy: -220.862
where: short stacking energy: -101.975
Base-Backbone interact. energy: -0.400
local terms energy: -127.074296
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -346.234988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.234988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.234988 (E_RNA)
where:
Base-Base interactions energy: -216.079
where: short stacking energy: -97.596
Base-Backbone interact. energy: -0.749
local terms energy: -129.407196
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -258.556987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.556987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.556987 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -65.565
Base-Backbone interact. energy: 0.223
local terms energy: -115.774150
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -185.754206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.754206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.754206 (E_RNA)
where:
Base-Base interactions energy: -70.728
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.055
local terms energy: -114.970478
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -17.061
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: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -145.239490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.239490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.239490 (E_RNA)
where:
Base-Base interactions energy: -54.593
where: short stacking energy: -37.929
Base-Backbone interact. energy: -0.718
local terms energy: -89.928369
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -0.461
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: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -151.606491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.606491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.606491 (E_RNA)
where:
Base-Base interactions energy: -68.388
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.457
local terms energy: -82.761469
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -136.484305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.484305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.484305 (E_RNA)
where:
Base-Base interactions energy: -47.567
where: short stacking energy: -41.596
Base-Backbone interact. energy: -0.759
local terms energy: -88.157747
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -451.147539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.147539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.147539 (E_RNA)
where:
Base-Base interactions energy: -294.600
where: short stacking energy: -135.044
Base-Backbone interact. energy: -1.240
local terms energy: -155.307107
where:
bonds (distance) C4'-P energy: -33.008
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -24.584
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: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -410.287715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.287715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.287715 (E_RNA)
where:
Base-Base interactions energy: -271.722
where: short stacking energy: -112.760
Base-Backbone interact. energy: -0.723
local terms energy: -137.842630
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -26.405
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: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -399.152643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.152643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.152643 (E_RNA)
where:
Base-Base interactions energy: -266.702
where: short stacking energy: -119.757
Base-Backbone interact. energy: -3.625
local terms energy: -128.825803
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -32.824
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -347.302064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.302064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.302064 (E_RNA)
where:
Base-Base interactions energy: -216.333
where: short stacking energy: -104.697
Base-Backbone interact. energy: -0.176
local terms energy: -130.792822
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -33.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -323.954165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.954165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.954165 (E_RNA)
where:
Base-Base interactions energy: -198.480
where: short stacking energy: -88.305
Base-Backbone interact. energy: -0.642
local terms energy: -124.832705
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -22.190
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: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -267.082228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.082228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.082228 (E_RNA)
where:
Base-Base interactions energy: -165.166
where: short stacking energy: -89.407
Base-Backbone interact. energy: -0.963
local terms energy: -100.953854
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -170.486263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.486263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.486263 (E_RNA)
where:
Base-Base interactions energy: -64.678
where: short stacking energy: -49.301
Base-Backbone interact. energy: -0.211
local terms energy: -105.597249
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -144.101643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.101643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.101643 (E_RNA)
where:
Base-Base interactions energy: -55.521
where: short stacking energy: -45.558
Base-Backbone interact. energy: -0.313
local terms energy: -88.267802
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -1.178
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: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -153.082021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.082021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.082021 (E_RNA)
where:
Base-Base interactions energy: -63.605
where: short stacking energy: -60.323
Base-Backbone interact. energy: 3.073
local terms energy: -92.549864
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -5.415
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: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -135.799289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.799289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.799289 (E_RNA)
where:
Base-Base interactions energy: -51.616
where: short stacking energy: -44.298
Base-Backbone interact. energy: -0.947
local terms energy: -83.236530
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -428.438055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.438055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.438055 (E_RNA)
where:
Base-Base interactions energy: -279.824
where: short stacking energy: -119.041
Base-Backbone interact. energy: -0.761
local terms energy: -147.853094
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -17.725
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: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -424.833895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.833895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.833895 (E_RNA)
where:
Base-Base interactions energy: -295.490
where: short stacking energy: -126.925
Base-Backbone interact. energy: -2.540
local terms energy: -126.803763
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -28.924
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -27.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -395.287369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.287369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.287369 (E_RNA)
where:
Base-Base interactions energy: -257.040
where: short stacking energy: -119.898
Base-Backbone interact. energy: 2.071
local terms energy: -140.318828
where:
bonds (distance) C4'-P energy: -25.440
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -32.832
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: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -357.715025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.715025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.715025 (E_RNA)
where:
Base-Base interactions energy: -229.213
where: short stacking energy: -114.205
Base-Backbone interact. energy: -0.333
local terms energy: -128.169464
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -323.270974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.270974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.270974 (E_RNA)
where:
Base-Base interactions energy: -210.769
where: short stacking energy: -102.448
Base-Backbone interact. energy: -1.232
local terms energy: -111.270892
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -276.470609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.470609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.470609 (E_RNA)
where:
Base-Base interactions energy: -160.851
where: short stacking energy: -79.429
Base-Backbone interact. energy: -0.748
local terms energy: -114.872040
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -167.278361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.278361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.278361 (E_RNA)
where:
Base-Base interactions energy: -79.892
where: short stacking energy: -34.667
Base-Backbone interact. energy: -0.437
local terms energy: -86.949583
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -153.955199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.955199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.955199 (E_RNA)
where:
Base-Base interactions energy: -69.880
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.434
local terms energy: -83.641297
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -147.082053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.082053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.082053 (E_RNA)
where:
Base-Base interactions energy: -64.789
where: short stacking energy: -51.623
Base-Backbone interact. energy: -0.420
local terms energy: -81.872544
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -1.418
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: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -144.778710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.778710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.778710 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -39.627
Base-Backbone interact. energy: -0.298
local terms energy: -97.347864
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: 0.361
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: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -442.464554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.464554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.464554 (E_RNA)
where:
Base-Base interactions energy: -286.285
where: short stacking energy: -124.267
Base-Backbone interact. energy: -0.918
local terms energy: -155.261527
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -40.997
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -408.497347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.497347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.497347 (E_RNA)
where:
Base-Base interactions energy: -264.649
where: short stacking energy: -121.090
Base-Backbone interact. energy: -0.753
local terms energy: -143.095338
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -32.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -402.400200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.400200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.400200 (E_RNA)
where:
Base-Base interactions energy: -274.285
where: short stacking energy: -103.306
Base-Backbone interact. energy: -2.512
local terms energy: -125.603287
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -21.617
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -361.786923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.786923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.786923 (E_RNA)
where:
Base-Base interactions energy: -232.294
where: short stacking energy: -106.259
Base-Backbone interact. energy: -0.945
local terms energy: -128.547500
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -308.012377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.012377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.012377 (E_RNA)
where:
Base-Base interactions energy: -180.855
where: short stacking energy: -86.571
Base-Backbone interact. energy: -0.720
local terms energy: -126.437336
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -261.357283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.357283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.357283 (E_RNA)
where:
Base-Base interactions energy: -154.728
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.496
local terms energy: -106.132879
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -181.933457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.933457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.933457 (E_RNA)
where:
Base-Base interactions energy: -97.994
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.529
local terms energy: -83.411112
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -150.494340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.494340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.494340 (E_RNA)
where:
Base-Base interactions energy: -60.162
where: short stacking energy: -49.980
Base-Backbone interact. energy: -1.176
local terms energy: -89.155884
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -149.385512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.385512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.385512 (E_RNA)
where:
Base-Base interactions energy: -63.293
where: short stacking energy: -52.338
Base-Backbone interact. energy: 1.646
local terms energy: -87.738563
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -5.480
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: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -130.883059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.883059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.883059 (E_RNA)
where:
Base-Base interactions energy: -63.267
where: short stacking energy: -57.055
Base-Backbone interact. energy: 0.516
local terms energy: -68.132907
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -437.673975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.673975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.673975 (E_RNA)
where:
Base-Base interactions energy: -289.660
where: short stacking energy: -125.050
Base-Backbone interact. energy: -1.593
local terms energy: -146.421625
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -37.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -395.548369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.548369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.548369 (E_RNA)
where:
Base-Base interactions energy: -262.689
where: short stacking energy: -125.220
Base-Backbone interact. energy: 1.184
local terms energy: -134.043026
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -14.317
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -403.458092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.458092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.458092 (E_RNA)
where:
Base-Base interactions energy: -277.274
where: short stacking energy: -105.063
Base-Backbone interact. energy: -1.152
local terms energy: -125.032682
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -345.147416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.147416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.147416 (E_RNA)
where:
Base-Base interactions energy: -222.562
where: short stacking energy: -108.093
Base-Backbone interact. energy: 0.720
local terms energy: -123.304848
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -313.669532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.669532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.669532 (E_RNA)
where:
Base-Base interactions energy: -192.297
where: short stacking energy: -104.003
Base-Backbone interact. energy: -0.241
local terms energy: -121.131533
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -24.213
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: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -277.659368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.659368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.659368 (E_RNA)
where:
Base-Base interactions energy: -166.747
where: short stacking energy: -89.474
Base-Backbone interact. energy: -0.463
local terms energy: -110.449095
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -192.990434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.990434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.990434 (E_RNA)
where:
Base-Base interactions energy: -103.278
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.490
local terms energy: -89.222008
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -172.787157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.787157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.787157 (E_RNA)
where:
Base-Base interactions energy: -74.627
where: short stacking energy: -47.841
Base-Backbone interact. energy: -0.982
local terms energy: -97.178254
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -9.690
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: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -148.927372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.927372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.927372 (E_RNA)
where:
Base-Base interactions energy: -46.476
where: short stacking energy: -41.846
Base-Backbone interact. energy: -1.633
local terms energy: -100.817826
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -148.925860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.925860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.925860 (E_RNA)
where:
Base-Base interactions energy: -47.785
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.468
local terms energy: -100.673175
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -451.707377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.707377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.707377 (E_RNA)
where:
Base-Base interactions energy: -294.825
where: short stacking energy: -121.213
Base-Backbone interact. energy: -0.859
local terms energy: -156.024001
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -38.207
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -403.822158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.822158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.822158 (E_RNA)
where:
Base-Base interactions energy: -271.215
where: short stacking energy: -117.670
Base-Backbone interact. energy: 1.848
local terms energy: -134.455156
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -19.932
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: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -400.396570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.396570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.396570 (E_RNA)
where:
Base-Base interactions energy: -279.942
where: short stacking energy: -107.834
Base-Backbone interact. energy: 0.485
local terms energy: -120.939518
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -362.315407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.315407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.315407 (E_RNA)
where:
Base-Base interactions energy: -228.555
where: short stacking energy: -118.570
Base-Backbone interact. energy: -1.266
local terms energy: -132.494170
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -28.856
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -318.650792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.650792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.650792 (E_RNA)
where:
Base-Base interactions energy: -203.834
where: short stacking energy: -94.788
Base-Backbone interact. energy: -1.246
local terms energy: -113.570828
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -264.099273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.099273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.099273 (E_RNA)
where:
Base-Base interactions energy: -150.737
where: short stacking energy: -94.648
Base-Backbone interact. energy: -0.428
local terms energy: -112.934012
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -24.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -203.447388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.447388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.447388 (E_RNA)
where:
Base-Base interactions energy: -92.288
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.430
local terms energy: -110.728937
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -35.550
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -13.341
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: 35
Temperature: 1.250000
Total energy: -149.464751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.464751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.464751 (E_RNA)
where:
Base-Base interactions energy: -57.889
where: short stacking energy: -40.083
Base-Backbone interact. energy: -0.762
local terms energy: -90.814661
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -23.806
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -192.607056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.607056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.607056 (E_RNA)
where:
Base-Base interactions energy: -102.272
where: short stacking energy: -63.230
Base-Backbone interact. energy: -0.090
local terms energy: -90.245017
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -136.459791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.459791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.459791 (E_RNA)
where:
Base-Base interactions energy: -54.338
where: short stacking energy: -35.239
Base-Backbone interact. energy: -1.376
local terms energy: -80.746116
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: 6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -442.791339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.791339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.791339 (E_RNA)
where:
Base-Base interactions energy: -295.070
where: short stacking energy: -139.900
Base-Backbone interact. energy: -1.471
local terms energy: -146.250593
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -19.515
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: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -406.339867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.339867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.339867 (E_RNA)
where:
Base-Base interactions energy: -268.054
where: short stacking energy: -121.948
Base-Backbone interact. energy: -1.116
local terms energy: -137.169757
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -32.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -374.610660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.610660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.610660 (E_RNA)
where:
Base-Base interactions energy: -229.475
where: short stacking energy: -104.253
Base-Backbone interact. energy: -0.384
local terms energy: -144.750956
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -31.651
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -31.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -392.040620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.040620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.040620 (E_RNA)
where:
Base-Base interactions energy: -258.913
where: short stacking energy: -86.944
Base-Backbone interact. energy: -1.567
local terms energy: -131.560105
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -21.788
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -321.222249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.222249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.222249 (E_RNA)
where:
Base-Base interactions energy: -199.528
where: short stacking energy: -89.296
Base-Backbone interact. energy: -0.425
local terms energy: -121.269634
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -33.608
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -255.889816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.889816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.889816 (E_RNA)
where:
Base-Base interactions energy: -145.402
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.189
local terms energy: -110.298404
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -223.761069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.761069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.761069 (E_RNA)
where:
Base-Base interactions energy: -127.591
where: short stacking energy: -62.874
Base-Backbone interact. energy: 2.280
local terms energy: -98.449722
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -151.020325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.020325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.020325 (E_RNA)
where:
Base-Base interactions energy: -60.525
where: short stacking energy: -36.247
Base-Backbone interact. energy: 1.044
local terms energy: -91.539845
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: 6.586
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: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -228.396629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.396629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.396629 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -51.102
Base-Backbone interact. energy: -1.298
local terms energy: -96.950160
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -128.993887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.993887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.993887 (E_RNA)
where:
Base-Base interactions energy: -48.743
where: short stacking energy: -46.080
Base-Backbone interact. energy: 0.263
local terms energy: -80.513911
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -451.977267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.977267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.977267 (E_RNA)
where:
Base-Base interactions energy: -301.607
where: short stacking energy: -147.676
Base-Backbone interact. energy: -0.493
local terms energy: -149.877769
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -41.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -387.979934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.979934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.979934 (E_RNA)
where:
Base-Base interactions energy: -239.173
where: short stacking energy: -116.859
Base-Backbone interact. energy: -0.882
local terms energy: -147.924536
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -31.121
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -30.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -384.921129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.921129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.921129 (E_RNA)
where:
Base-Base interactions energy: -251.326
where: short stacking energy: -125.886
Base-Backbone interact. energy: -1.155
local terms energy: -132.440596
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -34.731
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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -385.154435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.154435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.154435 (E_RNA)
where:
Base-Base interactions energy: -261.432
where: short stacking energy: -101.561
Base-Backbone interact. energy: -1.470
local terms energy: -122.252090
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -19.002
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: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -264.705836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.705836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.705836 (E_RNA)
where:
Base-Base interactions energy: -148.873
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.667
local terms energy: -115.166523
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -251.565159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.565159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.565159 (E_RNA)
where:
Base-Base interactions energy: -138.459
where: short stacking energy: -61.555
Base-Backbone interact. energy: -1.059
local terms energy: -112.046798
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -243.595120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.595120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.595120 (E_RNA)
where:
Base-Base interactions energy: -150.851
where: short stacking energy: -74.557
Base-Backbone interact. energy: 0.328
local terms energy: -93.071475
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -254.885088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.885088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.885088 (E_RNA)
where:
Base-Base interactions energy: -143.327
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.069
local terms energy: -111.488743
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -14.461
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: 37
Temperature: 1.300000
Total energy: -148.673613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.673613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.673613 (E_RNA)
where:
Base-Base interactions energy: -71.855
where: short stacking energy: -65.508
Base-Backbone interact. energy: -0.168
local terms energy: -76.650653
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -9.678
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: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -147.161657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.161657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.161657 (E_RNA)
where:
Base-Base interactions energy: -65.217
where: short stacking energy: -57.069
Base-Backbone interact. energy: 1.923
local terms energy: -83.867489
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -464.820942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.820942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.820942 (E_RNA)
where:
Base-Base interactions energy: -308.560
where: short stacking energy: -134.368
Base-Backbone interact. energy: -0.922
local terms energy: -155.338930
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -23.625
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: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -405.010381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.010381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.010381 (E_RNA)
where:
Base-Base interactions energy: -266.470
where: short stacking energy: -118.463
Base-Backbone interact. energy: -2.264
local terms energy: -136.276142
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -29.136
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -380.292556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.292556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.292556 (E_RNA)
where:
Base-Base interactions energy: -238.539
where: short stacking energy: -121.699
Base-Backbone interact. energy: -2.437
local terms energy: -139.317173
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -35.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -355.465092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.465092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.465092 (E_RNA)
where:
Base-Base interactions energy: -224.548
where: short stacking energy: -107.861
Base-Backbone interact. energy: -1.206
local terms energy: -129.710684
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -277.146221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.146221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.146221 (E_RNA)
where:
Base-Base interactions energy: -156.955
where: short stacking energy: -78.936
Base-Backbone interact. energy: -0.368
local terms energy: -119.823134
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -247.482479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.482479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.482479 (E_RNA)
where:
Base-Base interactions energy: -141.275
where: short stacking energy: -74.494
Base-Backbone interact. energy: -0.788
local terms energy: -105.419533
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -19.106
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: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -249.153617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.153617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.153617 (E_RNA)
where:
Base-Base interactions energy: -146.444
where: short stacking energy: -79.577
Base-Backbone interact. energy: -0.774
local terms energy: -101.936553
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -247.030796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.030796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.030796 (E_RNA)
where:
Base-Base interactions energy: -142.154
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.130
local terms energy: -104.746903
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -13.515
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: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -150.641701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.641701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.641701 (E_RNA)
where:
Base-Base interactions energy: -59.521
where: short stacking energy: -46.408
Base-Backbone interact. energy: -0.140
local terms energy: -90.980670
where:
bonds (distance) C4'-P energy: -26.403
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -13.469
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: 38
Temperature: 1.350000
Total energy: -130.875849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.875849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.875849 (E_RNA)
where:
Base-Base interactions energy: -52.684
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.466
local terms energy: -77.725931
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -5.376
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: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -454.606015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.606015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.606015 (E_RNA)
where:
Base-Base interactions energy: -304.553
where: short stacking energy: -132.477
Base-Backbone interact. energy: -0.929
local terms energy: -149.124216
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -35.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -409.790339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.790339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.790339 (E_RNA)
where:
Base-Base interactions energy: -264.057
where: short stacking energy: -123.143
Base-Backbone interact. energy: -1.233
local terms energy: -144.500370
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -27.553
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -36.710
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: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -370.438516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.438516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.438516 (E_RNA)
where:
Base-Base interactions energy: -241.933
where: short stacking energy: -113.836
Base-Backbone interact. energy: -0.484
local terms energy: -128.021500
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -28.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -344.856420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.856420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.856420 (E_RNA)
where:
Base-Base interactions energy: -222.819
where: short stacking energy: -89.779
Base-Backbone interact. energy: -0.842
local terms energy: -121.196053
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -268.225185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.225185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.225185 (E_RNA)
where:
Base-Base interactions energy: -154.562
where: short stacking energy: -80.904
Base-Backbone interact. energy: -0.065
local terms energy: -113.598385
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -267.961824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.961824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.961824 (E_RNA)
where:
Base-Base interactions energy: -151.627
where: short stacking energy: -93.997
Base-Backbone interact. energy: -1.080
local terms energy: -115.254567
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -19.687
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: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -238.213971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.213971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.213971 (E_RNA)
where:
Base-Base interactions energy: -144.343
where: short stacking energy: -64.070
Base-Backbone interact. energy: 2.165
local terms energy: -96.035831
where:
bonds (distance) C4'-P energy: -29.056
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -225.868313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.868313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.868313 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -44.839
Base-Backbone interact. energy: -0.526
local terms energy: -95.460831
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -161.249213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.249213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.249213 (E_RNA)
where:
Base-Base interactions energy: -70.086
where: short stacking energy: -43.607
Base-Backbone interact. energy: 0.083
local terms energy: -91.246374
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: 2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -150.404928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.404928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.404928 (E_RNA)
where:
Base-Base interactions energy: -70.644
where: short stacking energy: -42.890
Base-Backbone interact. energy: -0.349
local terms energy: -79.412024
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -1.774
tors. eta vs tors. theta energy: 0.318
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: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -404.340374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.340374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.340374 (E_RNA)
where:
Base-Base interactions energy: -261.768
where: short stacking energy: -131.714
Base-Backbone interact. energy: -0.720
local terms energy: -141.852976
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -442.313531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.313531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.313531 (E_RNA)
where:
Base-Base interactions energy: -303.518
where: short stacking energy: -129.647
Base-Backbone interact. energy: -0.622
local terms energy: -138.173540
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -33.101
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: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -375.206152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.206152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.206152 (E_RNA)
where:
Base-Base interactions energy: -253.615
where: short stacking energy: -106.156
Base-Backbone interact. energy: -0.370
local terms energy: -121.221386
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -24.459
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: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -357.544103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.544103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.544103 (E_RNA)
where:
Base-Base interactions energy: -231.236
where: short stacking energy: -98.566
Base-Backbone interact. energy: -1.485
local terms energy: -124.822334
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -14.140
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: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -269.384968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.384968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.384968 (E_RNA)
where:
Base-Base interactions energy: -151.997
where: short stacking energy: -90.502
Base-Backbone interact. energy: 1.979
local terms energy: -119.367019
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -11.129
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: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -241.543032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.543032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.543032 (E_RNA)
where:
Base-Base interactions energy: -139.203
where: short stacking energy: -80.917
Base-Backbone interact. energy: -0.986
local terms energy: -101.353608
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -14.579
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: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -256.351904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.351904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.351904 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -76.383
Base-Backbone interact. energy: 0.543
local terms energy: -105.009185
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -214.442453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.442453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.442453 (E_RNA)
where:
Base-Base interactions energy: -113.400
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.323
local terms energy: -100.719330
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -12.609
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: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -148.095166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.095166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.095166 (E_RNA)
where:
Base-Base interactions energy: -64.471
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.669
local terms energy: -82.955659
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -29.343
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -143.553300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.553300 (E_RNA)
where:
Base-Base interactions energy: -54.602
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.475
local terms energy: -88.476627
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -418.970009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.970009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.970009 (E_RNA)
where:
Base-Base interactions energy: -276.282
where: short stacking energy: -129.576
Base-Backbone interact. energy: -1.736
local terms energy: -140.952055
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -33.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -432.748152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.748152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.748152 (E_RNA)
where:
Base-Base interactions energy: -294.898
where: short stacking energy: -106.495
Base-Backbone interact. energy: -1.085
local terms energy: -136.764505
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -30.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -393.081964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.081964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.081964 (E_RNA)
where:
Base-Base interactions energy: -263.434
where: short stacking energy: -124.860
Base-Backbone interact. energy: 2.413
local terms energy: -132.060391
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -29.433
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -25.162
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -377.681895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.681895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.681895 (E_RNA)
where:
Base-Base interactions energy: -260.557
where: short stacking energy: -116.859
Base-Backbone interact. energy: -0.750
local terms energy: -116.374944
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -26.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -280.243409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.243409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.243409 (E_RNA)
where:
Base-Base interactions energy: -169.779
where: short stacking energy: -102.004
Base-Backbone interact. energy: -0.895
local terms energy: -109.569330
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -25.255
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -25.528
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -281.096070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.096070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.096070 (E_RNA)
where:
Base-Base interactions energy: -158.438
where: short stacking energy: -90.378
Base-Backbone interact. energy: -0.214
local terms energy: -122.444049
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -30.284
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -257.554642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.554642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.554642 (E_RNA)
where:
Base-Base interactions energy: -152.762
where: short stacking energy: -75.029
Base-Backbone interact. energy: -2.017
local terms energy: -102.775485
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -213.769760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.769760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.769760 (E_RNA)
where:
Base-Base interactions energy: -104.234
where: short stacking energy: -62.771
Base-Backbone interact. energy: -1.404
local terms energy: -108.131220
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -8.703
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: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -153.504491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.504491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.504491 (E_RNA)
where:
Base-Base interactions energy: -62.310
where: short stacking energy: -35.995
Base-Backbone interact. energy: -1.524
local terms energy: -89.671158
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: 4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -139.737243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.737243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.737243 (E_RNA)
where:
Base-Base interactions energy: -49.148
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.298
local terms energy: -90.291410
where:
bonds (distance) C4'-P energy: -30.816
bonds (distance) P-C4' energy: -31.906
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: 5.688
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: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -461.952632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.952632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.952632 (E_RNA)
where:
Base-Base interactions energy: -313.318
where: short stacking energy: -126.020
Base-Backbone interact. energy: -0.615
local terms energy: -148.018956
where:
bonds (distance) C4'-P energy: -29.981
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -32.219
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -409.506197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.506197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.506197 (E_RNA)
where:
Base-Base interactions energy: -276.155
where: short stacking energy: -126.883
Base-Backbone interact. energy: -0.999
local terms energy: -132.352428
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -387.972386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.972386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.972386 (E_RNA)
where:
Base-Base interactions energy: -264.615
where: short stacking energy: -123.109
Base-Backbone interact. energy: -0.192
local terms energy: -123.165202
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -369.829706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.829706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.829706 (E_RNA)
where:
Base-Base interactions energy: -244.961
where: short stacking energy: -106.639
Base-Backbone interact. energy: 2.187
local terms energy: -127.056121
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -307.679192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.679192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.679192 (E_RNA)
where:
Base-Base interactions energy: -193.020
where: short stacking energy: -88.552
Base-Backbone interact. energy: -0.168
local terms energy: -114.491320
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -290.182587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.182587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.182587 (E_RNA)
where:
Base-Base interactions energy: -192.033
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.155
local terms energy: -97.994581
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -263.591987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.591987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.591987 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -63.285
Base-Backbone interact. energy: 1.192
local terms energy: -107.637712
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -15.069
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: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -236.274234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.274234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.274234 (E_RNA)
where:
Base-Base interactions energy: -124.322
where: short stacking energy: -55.297
Base-Backbone interact. energy: 1.584
local terms energy: -113.536338
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -12.248
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: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -147.936001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.936001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.936001 (E_RNA)
where:
Base-Base interactions energy: -57.964
where: short stacking energy: -46.315
Base-Backbone interact. energy: 0.232
local terms energy: -90.204456
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -3.203
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: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -136.861645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.861645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.861645 (E_RNA)
where:
Base-Base interactions energy: -52.988
where: short stacking energy: -30.710
Base-Backbone interact. energy: 0.941
local terms energy: -84.814200
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -2.016
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: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -455.307055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.307055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.307055 (E_RNA)
where:
Base-Base interactions energy: -309.631
where: short stacking energy: -130.070
Base-Backbone interact. energy: 0.040
local terms energy: -145.716303
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -28.787
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: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -390.361561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.361561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.361561 (E_RNA)
where:
Base-Base interactions energy: -248.369
where: short stacking energy: -125.948
Base-Backbone interact. energy: -2.915
local terms energy: -139.078148
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -33.547
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: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -361.864028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.864028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.864028 (E_RNA)
where:
Base-Base interactions energy: -239.848
where: short stacking energy: -113.421
Base-Backbone interact. energy: 0.028
local terms energy: -122.043558
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -381.546251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.546251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.546251 (E_RNA)
where:
Base-Base interactions energy: -252.538
where: short stacking energy: -109.284
Base-Backbone interact. energy: -0.650
local terms energy: -128.358805
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -23.217
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: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -304.476132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.476132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.476132 (E_RNA)
where:
Base-Base interactions energy: -183.526
where: short stacking energy: -108.100
Base-Backbone interact. energy: -0.767
local terms energy: -120.183300
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -26.179
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: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -279.333123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.333123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.333123 (E_RNA)
where:
Base-Base interactions energy: -165.658
where: short stacking energy: -88.680
Base-Backbone interact. energy: -0.490
local terms energy: -113.185421
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -272.494849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.494849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.494849 (E_RNA)
where:
Base-Base interactions energy: -173.155
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.553
local terms energy: -98.787652
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -10.181
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: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -230.705689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.705689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.705689 (E_RNA)
where:
Base-Base interactions energy: -133.472
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.054
local terms energy: -97.179638
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -32.738
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -160.635577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.635577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.635577 (E_RNA)
where:
Base-Base interactions energy: -65.280
where: short stacking energy: -46.437
Base-Backbone interact. energy: -1.547
local terms energy: -93.808259
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -149.743825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.743825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.743825 (E_RNA)
where:
Base-Base interactions energy: -56.254
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.922
local terms energy: -92.567901
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -5.915
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: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -465.396981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.396981 (E_RNA)
where:
Base-Base interactions energy: -327.764
where: short stacking energy: -130.363
Base-Backbone interact. energy: -0.346
local terms energy: -137.287323
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -31.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -370.129055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.129055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.129055 (E_RNA)
where:
Base-Base interactions energy: -243.714
where: short stacking energy: -113.551
Base-Backbone interact. energy: -0.325
local terms energy: -126.089554
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -378.043595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.043595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.043595 (E_RNA)
where:
Base-Base interactions energy: -255.780
where: short stacking energy: -119.087
Base-Backbone interact. energy: -1.393
local terms energy: -120.870595
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -388.769674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.769674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.769674 (E_RNA)
where:
Base-Base interactions energy: -264.114
where: short stacking energy: -111.391
Base-Backbone interact. energy: -0.157
local terms energy: -124.498256
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -28.993
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: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -310.485275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.485275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.485275 (E_RNA)
where:
Base-Base interactions energy: -188.088
where: short stacking energy: -97.507
Base-Backbone interact. energy: -0.233
local terms energy: -122.164450
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -22.127
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: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -354.069983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.069983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.069983 (E_RNA)
where:
Base-Base interactions energy: -228.437
where: short stacking energy: -99.053
Base-Backbone interact. energy: -0.037
local terms energy: -125.596034
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -238.286575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.286575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.286575 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -70.387
Base-Backbone interact. energy: -0.312
local terms energy: -101.319478
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -244.217837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.217837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.217837 (E_RNA)
where:
Base-Base interactions energy: -138.534
where: short stacking energy: -73.823
Base-Backbone interact. energy: 0.057
local terms energy: -105.740770
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -132.625885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.625885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.625885 (E_RNA)
where:
Base-Base interactions energy: -61.618
where: short stacking energy: -54.357
Base-Backbone interact. energy: -0.563
local terms energy: -70.444857
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: 5.731
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -129.061562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.061562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.061562 (E_RNA)
where:
Base-Base interactions energy: -41.203
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.365
local terms energy: -87.493721
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: 3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -457.900194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.900194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.900194 (E_RNA)
where:
Base-Base interactions energy: -313.720
where: short stacking energy: -136.123
Base-Backbone interact. energy: 0.058
local terms energy: -144.238094
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -33.435
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -33.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -416.781578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.781578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.781578 (E_RNA)
where:
Base-Base interactions energy: -274.983
where: short stacking energy: -130.451
Base-Backbone interact. energy: -0.624
local terms energy: -141.174566
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -364.270549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.270549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.270549 (E_RNA)
where:
Base-Base interactions energy: -231.110
where: short stacking energy: -105.444
Base-Backbone interact. energy: 1.785
local terms energy: -134.945645
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -386.328968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.328968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.328968 (E_RNA)
where:
Base-Base interactions energy: -254.841
where: short stacking energy: -104.483
Base-Backbone interact. energy: -0.860
local terms energy: -130.628171
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -302.605716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.605716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.605716 (E_RNA)
where:
Base-Base interactions energy: -186.390
where: short stacking energy: -100.094
Base-Backbone interact. energy: -1.771
local terms energy: -114.444533
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -22.220
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: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -361.403795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.403795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.403795 (E_RNA)
where:
Base-Base interactions energy: -227.824
where: short stacking energy: -95.158
Base-Backbone interact. energy: -0.665
local terms energy: -132.915139
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -25.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -238.219809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.219809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.219809 (E_RNA)
where:
Base-Base interactions energy: -126.542
where: short stacking energy: -66.126
Base-Backbone interact. energy: 0.121
local terms energy: -111.798954
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -247.766260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.766260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.766260 (E_RNA)
where:
Base-Base interactions energy: -139.739
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.387
local terms energy: -107.640916
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -153.555318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.555318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.555318 (E_RNA)
where:
Base-Base interactions energy: -67.737
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.235
local terms energy: -85.583771
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -9.214
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: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -130.424312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.424312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.424312 (E_RNA)
where:
Base-Base interactions energy: -43.473
where: short stacking energy: -37.433
Base-Backbone interact. energy: -0.758
local terms energy: -86.193057
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: 0.807
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: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -454.996330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.996330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.996330 (E_RNA)
where:
Base-Base interactions energy: -317.000
where: short stacking energy: -138.538
Base-Backbone interact. energy: -0.694
local terms energy: -137.302051
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -29.379
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -36.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -434.832902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.832902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.832902 (E_RNA)
where:
Base-Base interactions energy: -289.992
where: short stacking energy: -120.855
Base-Backbone interact. energy: -2.214
local terms energy: -142.626933
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -372.618401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.618401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.618401 (E_RNA)
where:
Base-Base interactions energy: -243.131
where: short stacking energy: -109.960
Base-Backbone interact. energy: -0.715
local terms energy: -128.772103
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -22.535
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -393.599162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.599162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.599162 (E_RNA)
where:
Base-Base interactions energy: -259.283
where: short stacking energy: -123.763
Base-Backbone interact. energy: -0.563
local terms energy: -133.753665
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -361.890355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.890355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.890355 (E_RNA)
where:
Base-Base interactions energy: -217.906
where: short stacking energy: -102.285
Base-Backbone interact. energy: -0.161
local terms energy: -143.823652
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -28.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -272.978429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.978429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.978429 (E_RNA)
where:
Base-Base interactions energy: -160.836
where: short stacking energy: -86.665
Base-Backbone interact. energy: 0.767
local terms energy: -112.909928
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -16.127
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: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -250.313726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.313726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.313726 (E_RNA)
where:
Base-Base interactions energy: -134.216
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.446
local terms energy: -115.651282
where:
bonds (distance) C4'-P energy: -29.590
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -162.145986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.145986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.145986 (E_RNA)
where:
Base-Base interactions energy: -78.478
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.592
local terms energy: -83.075429
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: 4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -144.383379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.383379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.383379 (E_RNA)
where:
Base-Base interactions energy: -56.312
where: short stacking energy: -35.670
Base-Backbone interact. energy: 0.937
local terms energy: -89.008281
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -4.118
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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -146.134500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.134500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.134500 (E_RNA)
where:
Base-Base interactions energy: -48.371
where: short stacking energy: -45.085
Base-Backbone interact. energy: -0.420
local terms energy: -97.343869
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -16.129
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: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -464.717257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.717257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.717257 (E_RNA)
where:
Base-Base interactions energy: -318.604
where: short stacking energy: -128.073
Base-Backbone interact. energy: -0.201
local terms energy: -145.912535
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -32.294
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -37.977
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -430.874148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.874148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.874148 (E_RNA)
where:
Base-Base interactions energy: -290.804
where: short stacking energy: -128.056
Base-Backbone interact. energy: -1.599
local terms energy: -138.471067
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -32.021
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -32.182
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: 47
Temperature: 1.000000
Total energy: -377.923692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.923692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.923692 (E_RNA)
where:
Base-Base interactions energy: -253.307
where: short stacking energy: -114.552
Base-Backbone interact. energy: -0.340
local terms energy: -124.276534
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -26.344
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: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -398.755614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.755614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.755614 (E_RNA)
where:
Base-Base interactions energy: -263.367
where: short stacking energy: -109.239
Base-Backbone interact. energy: -1.746
local terms energy: -133.642891
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -32.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -348.628111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.628111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.628111 (E_RNA)
where:
Base-Base interactions energy: -214.625
where: short stacking energy: -105.008
Base-Backbone interact. energy: 0.152
local terms energy: -134.155341
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -300.727928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.727928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.727928 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -96.041
Base-Backbone interact. energy: -0.359
local terms energy: -130.297744
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -29.106
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: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -249.100241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.100241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.100241 (E_RNA)
where:
Base-Base interactions energy: -158.953
where: short stacking energy: -78.496
Base-Backbone interact. energy: -0.106
local terms energy: -90.040671
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -150.589173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.589173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.589173 (E_RNA)
where:
Base-Base interactions energy: -64.141
where: short stacking energy: -59.127
Base-Backbone interact. energy: -0.097
local terms energy: -86.351303
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -14.530
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: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -145.660447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.660447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.660447 (E_RNA)
where:
Base-Base interactions energy: -65.659
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.812
local terms energy: -79.188939
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -141.615835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.615835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.615835 (E_RNA)
where:
Base-Base interactions energy: -56.702
where: short stacking energy: -45.661
Base-Backbone interact. energy: -0.952
local terms energy: -83.961079
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -22.568
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -0.501
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: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -460.099420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.099420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.099420 (E_RNA)
where:
Base-Base interactions energy: -303.041
where: short stacking energy: -129.961
Base-Backbone interact. energy: -0.754
local terms energy: -156.304042
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -32.921
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -40.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -430.858027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.858027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.858027 (E_RNA)
where:
Base-Base interactions energy: -290.776
where: short stacking energy: -128.114
Base-Backbone interact. energy: -0.496
local terms energy: -139.586610
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -27.153
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: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -365.185234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.185234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.185234 (E_RNA)
where:
Base-Base interactions energy: -224.707
where: short stacking energy: -105.177
Base-Backbone interact. energy: -0.080
local terms energy: -140.398631
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -30.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -350.639479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.639479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.639479 (E_RNA)
where:
Base-Base interactions energy: -215.696
where: short stacking energy: -99.033
Base-Backbone interact. energy: 0.210
local terms energy: -135.153476
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -349.752692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.752692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.752692 (E_RNA)
where:
Base-Base interactions energy: -221.558
where: short stacking energy: -109.082
Base-Backbone interact. energy: 0.983
local terms energy: -129.177438
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -30.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -291.402252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.402252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.402252 (E_RNA)
where:
Base-Base interactions energy: -161.578
where: short stacking energy: -91.040
Base-Backbone interact. energy: -0.609
local terms energy: -129.215046
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -24.623
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: 48
Temperature: 1.200000
Total energy: -258.508006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.508006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.508006 (E_RNA)
where:
Base-Base interactions energy: -158.734
where: short stacking energy: -88.370
Base-Backbone interact. energy: -0.435
local terms energy: -99.338669
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -176.569043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.569043 (E_RNA)
where:
Base-Base interactions energy: -67.928
where: short stacking energy: -54.680
Base-Backbone interact. energy: -1.268
local terms energy: -107.372610
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -5.530
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: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -145.668551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.668551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.668551 (E_RNA)
where:
Base-Base interactions energy: -50.145
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.031
local terms energy: -95.492826
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -137.742995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.742995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.742995 (E_RNA)
where:
Base-Base interactions energy: -65.301
where: short stacking energy: -26.469
Base-Backbone interact. energy: -1.135
local terms energy: -71.306295
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: 4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -457.645713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.645713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.645713 (E_RNA)
where:
Base-Base interactions energy: -313.406
where: short stacking energy: -144.345
Base-Backbone interact. energy: -1.221
local terms energy: -143.018299
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -39.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -426.031383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.031383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.031383 (E_RNA)
where:
Base-Base interactions energy: -290.123
where: short stacking energy: -128.476
Base-Backbone interact. energy: -0.509
local terms energy: -135.398813
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -32.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -347.058068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.058068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.058068 (E_RNA)
where:
Base-Base interactions energy: -213.912
where: short stacking energy: -105.849
Base-Backbone interact. energy: -0.129
local terms energy: -133.017827
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -26.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -374.344259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.344259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.344259 (E_RNA)
where:
Base-Base interactions energy: -240.870
where: short stacking energy: -100.728
Base-Backbone interact. energy: -0.868
local terms energy: -132.606565
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -30.929
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: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -330.094683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.094683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.094683 (E_RNA)
where:
Base-Base interactions energy: -220.630
where: short stacking energy: -93.454
Base-Backbone interact. energy: -0.690
local terms energy: -108.775316
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -341.837427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.837427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.837427 (E_RNA)
where:
Base-Base interactions energy: -216.403
where: short stacking energy: -103.113
Base-Backbone interact. energy: -0.666
local terms energy: -124.768083
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -18.268
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: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -277.583482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.583482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.583482 (E_RNA)
where:
Base-Base interactions energy: -157.220
where: short stacking energy: -79.679
Base-Backbone interact. energy: -0.947
local terms energy: -119.416473
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -20.091
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: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -152.447350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.447350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.447350 (E_RNA)
where:
Base-Base interactions energy: -55.040
where: short stacking energy: -41.178
Base-Backbone interact. energy: -1.657
local terms energy: -95.749751
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -1.760
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: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -141.550377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.550377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.550377 (E_RNA)
where:
Base-Base interactions energy: -64.369
where: short stacking energy: -39.650
Base-Backbone interact. energy: 3.086
local terms energy: -80.266858
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -144.566158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.566158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.566158 (E_RNA)
where:
Base-Base interactions energy: -67.071
where: short stacking energy: -51.740
Base-Backbone interact. energy: 0.100
local terms energy: -77.594842
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -26.974
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: 2.293
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: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -462.097800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.097800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.097800 (E_RNA)
where:
Base-Base interactions energy: -310.212
where: short stacking energy: -134.493
Base-Backbone interact. energy: -0.548
local terms energy: -151.338640
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -34.630
flat angles P-C4'-P energy: -23.535
tors. eta vs tors. theta energy: -41.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -431.038193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.038193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.038193 (E_RNA)
where:
Base-Base interactions energy: -307.010
where: short stacking energy: -131.193
Base-Backbone interact. energy: -3.552
local terms energy: -120.476488
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -27.261
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -391.031976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.031976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.031976 (E_RNA)
where:
Base-Base interactions energy: -260.075
where: short stacking energy: -128.880
Base-Backbone interact. energy: -0.393
local terms energy: -130.563983
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -15.204
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: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -353.213663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.213663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.213663 (E_RNA)
where:
Base-Base interactions energy: -221.437
where: short stacking energy: -98.605
Base-Backbone interact. energy: -0.213
local terms energy: -131.563377
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -31.156
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: -26.992
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: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -346.240434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.240434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.240434 (E_RNA)
where:
Base-Base interactions energy: -214.363
where: short stacking energy: -116.595
Base-Backbone interact. energy: 1.061
local terms energy: -132.939019
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -321.600187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.600187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.600187 (E_RNA)
where:
Base-Base interactions energy: -206.462
where: short stacking energy: -101.760
Base-Backbone interact. energy: -0.566
local terms energy: -114.572092
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -276.252823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.252823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.252823 (E_RNA)
where:
Base-Base interactions energy: -162.580
where: short stacking energy: -79.973
Base-Backbone interact. energy: -1.246
local terms energy: -112.426299
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -157.004763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.004763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.004763 (E_RNA)
where:
Base-Base interactions energy: -54.321
where: short stacking energy: -50.140
Base-Backbone interact. energy: -0.421
local terms energy: -102.262466
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -25.990
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -140.841314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.841314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.841314 (E_RNA)
where:
Base-Base interactions energy: -61.511
where: short stacking energy: -46.917
Base-Backbone interact. energy: 0.160
local terms energy: -79.489979
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -2.682
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: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -165.607180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.607180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.607180 (E_RNA)
where:
Base-Base interactions energy: -71.068
where: short stacking energy: -42.285
Base-Backbone interact. energy: -0.361
local terms energy: -94.177444
where:
bonds (distance) C4'-P energy: -27.221
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -461.059821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.059821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.059821 (E_RNA)
where:
Base-Base interactions energy: -311.928
where: short stacking energy: -126.195
Base-Backbone interact. energy: -0.800
local terms energy: -148.332431
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -42.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -418.100730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.100730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.100730 (E_RNA)
where:
Base-Base interactions energy: -275.768
where: short stacking energy: -123.252
Base-Backbone interact. energy: -2.099
local terms energy: -140.233551
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -31.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -389.776013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.776013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.776013 (E_RNA)
where:
Base-Base interactions energy: -246.797
where: short stacking energy: -119.680
Base-Backbone interact. energy: -1.132
local terms energy: -141.847149
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -36.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -381.813433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.813433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.813433 (E_RNA)
where:
Base-Base interactions energy: -243.633
where: short stacking energy: -122.854
Base-Backbone interact. energy: -0.020
local terms energy: -138.160727
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -30.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -324.489326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.489326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.489326 (E_RNA)
where:
Base-Base interactions energy: -206.773
where: short stacking energy: -98.268
Base-Backbone interact. energy: -0.245
local terms energy: -117.472117
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -21.025
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: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -326.342703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.342703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.342703 (E_RNA)
where:
Base-Base interactions energy: -206.021
where: short stacking energy: -97.269
Base-Backbone interact. energy: 0.533
local terms energy: -120.854055
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -12.186
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: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -229.974159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974159 (E_RNA)
where:
Base-Base interactions energy: -124.819
where: short stacking energy: -62.645
Base-Backbone interact. energy: 1.492
local terms energy: -106.646493
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -155.626593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.626593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.626593 (E_RNA)
where:
Base-Base interactions energy: -59.596
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.450
local terms energy: -95.580721
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -137.676769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.676769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.676769 (E_RNA)
where:
Base-Base interactions energy: -56.032
where: short stacking energy: -44.510
Base-Backbone interact. energy: 2.552
local terms energy: -84.197504
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -209.212883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.212883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.212883 (E_RNA)
where:
Base-Base interactions energy: -119.500
where: short stacking energy: -68.188
Base-Backbone interact. energy: 1.609
local terms energy: -91.322080
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -447.135534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.135534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.135534 (E_RNA)
where:
Base-Base interactions energy: -302.746
where: short stacking energy: -135.066
Base-Backbone interact. energy: -1.127
local terms energy: -143.261903
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -33.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -403.289572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.289572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.289572 (E_RNA)
where:
Base-Base interactions energy: -265.134
where: short stacking energy: -128.490
Base-Backbone interact. energy: -0.301
local terms energy: -137.854345
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -30.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -372.888324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.888324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.888324 (E_RNA)
where:
Base-Base interactions energy: -228.415
where: short stacking energy: -119.668
Base-Backbone interact. energy: -0.466
local terms energy: -144.007432
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -36.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -406.475655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.475655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.475655 (E_RNA)
where:
Base-Base interactions energy: -256.750
where: short stacking energy: -108.586
Base-Backbone interact. energy: -1.291
local terms energy: -148.434795
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -21.699
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: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -357.247352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.247352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.247352 (E_RNA)
where:
Base-Base interactions energy: -225.085
where: short stacking energy: -103.370
Base-Backbone interact. energy: -0.668
local terms energy: -131.493709
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -27.830
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: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -272.671621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.671621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.671621 (E_RNA)
where:
Base-Base interactions energy: -159.937
where: short stacking energy: -81.494
Base-Backbone interact. energy: -0.536
local terms energy: -112.198611
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -235.644873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.644873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.644873 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -74.580
Base-Backbone interact. energy: -0.305
local terms energy: -107.116093
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -27.599
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -148.504065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.504065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.504065 (E_RNA)
where:
Base-Base interactions energy: -65.500
where: short stacking energy: -45.364
Base-Backbone interact. energy: 0.058
local terms energy: -83.061842
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -193.480646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.480646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.480646 (E_RNA)
where:
Base-Base interactions energy: -107.545
where: short stacking energy: -65.331
Base-Backbone interact. energy: -0.124
local terms energy: -85.811431
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -136.677003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.677003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.677003 (E_RNA)
where:
Base-Base interactions energy: -61.834
where: short stacking energy: -57.796
Base-Backbone interact. energy: 0.482
local terms energy: -75.324717
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: 4.876
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: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -449.112330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.112330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.112330 (E_RNA)
where:
Base-Base interactions energy: -293.548
where: short stacking energy: -140.112
Base-Backbone interact. energy: -0.626
local terms energy: -154.937796
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -42.261
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -386.563265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.563265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.563265 (E_RNA)
where:
Base-Base interactions energy: -238.480
where: short stacking energy: -125.715
Base-Backbone interact. energy: -0.286
local terms energy: -147.796559
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -416.592538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.592538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.592538 (E_RNA)
where:
Base-Base interactions energy: -268.251
where: short stacking energy: -124.079
Base-Backbone interact. energy: -1.137
local terms energy: -147.204943
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -40.164
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: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -396.040026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.040026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.040026 (E_RNA)
where:
Base-Base interactions energy: -259.077
where: short stacking energy: -116.021
Base-Backbone interact. energy: 0.077
local terms energy: -137.039044
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -34.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -340.493946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.493946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.493946 (E_RNA)
where:
Base-Base interactions energy: -215.031
where: short stacking energy: -104.680
Base-Backbone interact. energy: 0.348
local terms energy: -125.810607
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -30.145
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -27.737
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -270.610460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.610460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.610460 (E_RNA)
where:
Base-Base interactions energy: -150.145
where: short stacking energy: -91.284
Base-Backbone interact. energy: -0.315
local terms energy: -120.150836
where:
bonds (distance) C4'-P energy: -30.775
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -285.894764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.894764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.894764 (E_RNA)
where:
Base-Base interactions energy: -168.447
where: short stacking energy: -86.333
Base-Backbone interact. energy: 0.589
local terms energy: -118.036889
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -24.212
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: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -211.234252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.234252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.234252 (E_RNA)
where:
Base-Base interactions energy: -109.265
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.051
local terms energy: -101.918685
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -138.456315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.456315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.456315 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -30.510
Base-Backbone interact. energy: -1.536
local terms energy: -98.511502
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -138.210338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.210338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.210338 (E_RNA)
where:
Base-Base interactions energy: -51.599
where: short stacking energy: -43.721
Base-Backbone interact. energy: 0.387
local terms energy: -86.998989
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: 3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -465.062121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.062121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.062121 (E_RNA)
where:
Base-Base interactions energy: -308.767
where: short stacking energy: -136.131
Base-Backbone interact. energy: -0.133
local terms energy: -156.162380
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -39.519
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -383.932000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.932000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.932000 (E_RNA)
where:
Base-Base interactions energy: -233.581
where: short stacking energy: -124.563
Base-Backbone interact. energy: -1.018
local terms energy: -149.332821
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -35.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -415.097649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.097649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.097649 (E_RNA)
where:
Base-Base interactions energy: -269.576
where: short stacking energy: -127.334
Base-Backbone interact. energy: -0.085
local terms energy: -145.436736
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -17.849
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: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -383.645835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.645835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.645835 (E_RNA)
where:
Base-Base interactions energy: -253.174
where: short stacking energy: -105.711
Base-Backbone interact. energy: 0.535
local terms energy: -131.007585
where:
bonds (distance) C4'-P energy: -29.926
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -28.260
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: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -324.777622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.777622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.777622 (E_RNA)
where:
Base-Base interactions energy: -204.422
where: short stacking energy: -99.988
Base-Backbone interact. energy: -0.287
local terms energy: -120.068699
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -255.018949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.018949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.018949 (E_RNA)
where:
Base-Base interactions energy: -141.268
where: short stacking energy: -77.364
Base-Backbone interact. energy: -0.156
local terms energy: -113.594527
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -15.713
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: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -277.549430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.549430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.549430 (E_RNA)
where:
Base-Base interactions energy: -158.130
where: short stacking energy: -84.613
Base-Backbone interact. energy: 1.463
local terms energy: -120.881630
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -20.822
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: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -255.666914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.666914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.666914 (E_RNA)
where:
Base-Base interactions energy: -139.491
where: short stacking energy: -86.026
Base-Backbone interact. energy: 1.473
local terms energy: -117.648364
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -19.397
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: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -139.919974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.919974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.919974 (E_RNA)
where:
Base-Base interactions energy: -59.679
where: short stacking energy: -43.293
Base-Backbone interact. energy: 0.357
local terms energy: -80.597470
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: 4.557
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -139.066126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.066126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.066126 (E_RNA)
where:
Base-Base interactions energy: -60.819
where: short stacking energy: -49.752
Base-Backbone interact. energy: 1.194
local terms energy: -79.440782
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -452.916745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.916745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.916745 (E_RNA)
where:
Base-Base interactions energy: -313.110
where: short stacking energy: -138.502
Base-Backbone interact. energy: -1.092
local terms energy: -138.714475
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -19.284
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: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -427.253759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.253759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.253759 (E_RNA)
where:
Base-Base interactions energy: -283.022
where: short stacking energy: -126.298
Base-Backbone interact. energy: -1.386
local terms energy: -142.845116
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -36.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -369.406765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.406765 (E_RNA)
where:
Base-Base interactions energy: -232.672
where: short stacking energy: -121.708
Base-Backbone interact. energy: -1.225
local terms energy: -135.509021
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -31.130
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -31.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -402.195019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.195019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.195019 (E_RNA)
where:
Base-Base interactions energy: -266.387
where: short stacking energy: -115.398
Base-Backbone interact. energy: -0.330
local terms energy: -135.477804
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -17.362
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: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -315.912038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.912038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.912038 (E_RNA)
where:
Base-Base interactions energy: -198.947
where: short stacking energy: -92.181
Base-Backbone interact. energy: -0.990
local terms energy: -115.974845
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -28.425
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -271.416148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.416148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.416148 (E_RNA)
where:
Base-Base interactions energy: -159.479
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.388
local terms energy: -111.548355
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -26.988
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -259.569668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.569668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.569668 (E_RNA)
where:
Base-Base interactions energy: -157.731
where: short stacking energy: -92.819
Base-Backbone interact. energy: -0.561
local terms energy: -101.276977
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -232.604968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.604968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.604968 (E_RNA)
where:
Base-Base interactions energy: -146.981
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.488
local terms energy: -85.136305
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -8.714
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: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -141.837502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.837502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.837502 (E_RNA)
where:
Base-Base interactions energy: -56.047
where: short stacking energy: -29.223
Base-Backbone interact. energy: 1.148
local terms energy: -86.938641
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -19.098
tors. eta vs tors. theta energy: 3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -131.628219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.628219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.628219 (E_RNA)
where:
Base-Base interactions energy: -51.445
where: short stacking energy: -29.527
Base-Backbone interact. energy: 0.220
local terms energy: -80.402971
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: 5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -454.901136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.901136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.901136 (E_RNA)
where:
Base-Base interactions energy: -303.619
where: short stacking energy: -129.257
Base-Backbone interact. energy: -1.326
local terms energy: -149.955859
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -38.537
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: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -446.320699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.320699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.320699 (E_RNA)
where:
Base-Base interactions energy: -290.513
where: short stacking energy: -138.653
Base-Backbone interact. energy: -0.039
local terms energy: -155.768837
where:
bonds (distance) C4'-P energy: -32.662
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -38.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -407.130657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.130657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.130657 (E_RNA)
where:
Base-Base interactions energy: -265.476
where: short stacking energy: -114.640
Base-Backbone interact. energy: -0.470
local terms energy: -141.185318
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -31.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -372.671333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.671333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.671333 (E_RNA)
where:
Base-Base interactions energy: -243.569
where: short stacking energy: -123.590
Base-Backbone interact. energy: -1.845
local terms energy: -127.257630
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -303.474064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.474064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.474064 (E_RNA)
where:
Base-Base interactions energy: -190.046
where: short stacking energy: -90.458
Base-Backbone interact. energy: -0.776
local terms energy: -112.652525
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -19.043
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: 56
Temperature: 1.150000
Total energy: -287.988598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.988598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.988598 (E_RNA)
where:
Base-Base interactions energy: -194.306
where: short stacking energy: -80.754
Base-Backbone interact. energy: 1.611
local terms energy: -95.293648
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -267.490555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.490555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.490555 (E_RNA)
where:
Base-Base interactions energy: -162.090
where: short stacking energy: -81.954
Base-Backbone interact. energy: -0.980
local terms energy: -104.421375
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -204.994310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.994310 (E_RNA)
where:
Base-Base interactions energy: -121.723
where: short stacking energy: -62.252
Base-Backbone interact. energy: -1.762
local terms energy: -81.509200
where:
bonds (distance) C4'-P energy: -23.222
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -10.607
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: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -145.458058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.458058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.458058 (E_RNA)
where:
Base-Base interactions energy: -60.236
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.189
local terms energy: -85.032568
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -129.671566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.671566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.671566 (E_RNA)
where:
Base-Base interactions energy: -64.097
where: short stacking energy: -41.464
Base-Backbone interact. energy: -1.060
local terms energy: -64.514310
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: 7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -457.642315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.642315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.642315 (E_RNA)
where:
Base-Base interactions energy: -312.307
where: short stacking energy: -131.139
Base-Backbone interact. energy: -0.702
local terms energy: -144.632467
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -32.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -422.119756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.119756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.119756 (E_RNA)
where:
Base-Base interactions energy: -274.017
where: short stacking energy: -129.745
Base-Backbone interact. energy: -0.245
local terms energy: -147.858057
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -20.790
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: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -392.847147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.847147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.847147 (E_RNA)
where:
Base-Base interactions energy: -261.317
where: short stacking energy: -112.775
Base-Backbone interact. energy: -0.402
local terms energy: -131.128280
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -17.036
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: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -341.498465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.498465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.498465 (E_RNA)
where:
Base-Base interactions energy: -219.440
where: short stacking energy: -100.209
Base-Backbone interact. energy: 1.272
local terms energy: -123.330759
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -348.329437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.329437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.329437 (E_RNA)
where:
Base-Base interactions energy: -222.211
where: short stacking energy: -99.418
Base-Backbone interact. energy: -1.298
local terms energy: -124.820379
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -279.679642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.679642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.679642 (E_RNA)
where:
Base-Base interactions energy: -166.712
where: short stacking energy: -79.185
Base-Backbone interact. energy: -0.440
local terms energy: -112.527631
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -277.339561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.339561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.339561 (E_RNA)
where:
Base-Base interactions energy: -161.066
where: short stacking energy: -75.503
Base-Backbone interact. energy: -1.640
local terms energy: -114.633253
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -191.032442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.032442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.032442 (E_RNA)
where:
Base-Base interactions energy: -92.292
where: short stacking energy: -54.661
Base-Backbone interact. energy: 0.199
local terms energy: -98.939318
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -137.966644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.966644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.966644 (E_RNA)
where:
Base-Base interactions energy: -54.351
where: short stacking energy: -46.881
Base-Backbone interact. energy: -0.364
local terms energy: -83.250977
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -148.729466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.729466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.729466 (E_RNA)
where:
Base-Base interactions energy: -63.258
where: short stacking energy: -48.002
Base-Backbone interact. energy: -0.590
local terms energy: -84.881481
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: 2.619
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: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -434.224853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.224853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.224853 (E_RNA)
where:
Base-Base interactions energy: -290.003
where: short stacking energy: -136.131
Base-Backbone interact. energy: -1.807
local terms energy: -142.414291
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -34.760
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: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -451.908906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.908906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.908906 (E_RNA)
where:
Base-Base interactions energy: -307.995
where: short stacking energy: -115.998
Base-Backbone interact. energy: -1.444
local terms energy: -142.469528
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -34.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -402.067641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.067641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.067641 (E_RNA)
where:
Base-Base interactions energy: -270.754
where: short stacking energy: -124.579
Base-Backbone interact. energy: -0.087
local terms energy: -131.226786
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -33.267
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -353.997220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.997220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.997220 (E_RNA)
where:
Base-Base interactions energy: -221.911
where: short stacking energy: -107.036
Base-Backbone interact. energy: -0.773
local terms energy: -131.313724
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -29.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -291.780827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.780827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.780827 (E_RNA)
where:
Base-Base interactions energy: -175.475
where: short stacking energy: -89.643
Base-Backbone interact. energy: -0.617
local terms energy: -115.689500
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -25.470
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -20.069
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: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -299.254959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.254959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.254959 (E_RNA)
where:
Base-Base interactions energy: -187.687
where: short stacking energy: -82.135
Base-Backbone interact. energy: -0.430
local terms energy: -111.137779
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -20.740
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: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -218.619702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.619702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.619702 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.113
local terms energy: -97.919176
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -25.799
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -169.907615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.907615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.907615 (E_RNA)
where:
Base-Base interactions energy: -74.782
where: short stacking energy: -47.469
Base-Backbone interact. energy: 0.722
local terms energy: -95.846983
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -151.720375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.720375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.720375 (E_RNA)
where:
Base-Base interactions energy: -59.216
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.101
local terms energy: -92.403031
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -1.633
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: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -144.149263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.149263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.149263 (E_RNA)
where:
Base-Base interactions energy: -54.465
where: short stacking energy: -51.121
Base-Backbone interact. energy: -1.035
local terms energy: -88.648864
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -457.119155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.119155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.119155 (E_RNA)
where:
Base-Base interactions energy: -305.381
where: short stacking energy: -143.485
Base-Backbone interact. energy: -0.964
local terms energy: -150.774241
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -32.412
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -41.969
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: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -445.372053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.372053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.372053 (E_RNA)
where:
Base-Base interactions energy: -299.728
where: short stacking energy: -125.636
Base-Backbone interact. energy: 2.454
local terms energy: -148.098031
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: -37.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -410.272420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.272420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.272420 (E_RNA)
where:
Base-Base interactions energy: -271.179
where: short stacking energy: -129.319
Base-Backbone interact. energy: -0.248
local terms energy: -138.845324
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -37.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -350.769000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.769000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.769000 (E_RNA)
where:
Base-Base interactions energy: -225.049
where: short stacking energy: -112.814
Base-Backbone interact. energy: -0.083
local terms energy: -125.636945
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -321.371266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.371266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.371266 (E_RNA)
where:
Base-Base interactions energy: -187.619
where: short stacking energy: -103.049
Base-Backbone interact. energy: 1.220
local terms energy: -134.971844
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -31.761
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: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -270.008093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.008093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.008093 (E_RNA)
where:
Base-Base interactions energy: -150.053
where: short stacking energy: -82.692
Base-Backbone interact. energy: -1.375
local terms energy: -118.579915
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -237.631989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.631989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.631989 (E_RNA)
where:
Base-Base interactions energy: -132.554
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.256
local terms energy: -104.822156
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -11.307
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: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -141.959910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.959910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.959910 (E_RNA)
where:
Base-Base interactions energy: -48.388
where: short stacking energy: -43.473
Base-Backbone interact. energy: -0.525
local terms energy: -93.046041
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -146.392734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.392734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.392734 (E_RNA)
where:
Base-Base interactions energy: -54.050
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.277
local terms energy: -92.065854
where:
bonds (distance) C4'-P energy: -28.322
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -139.555306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.555306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.555306 (E_RNA)
where:
Base-Base interactions energy: -49.065
where: short stacking energy: -27.460
Base-Backbone interact. energy: 1.101
local terms energy: -91.591164
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -0.578
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: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -462.584854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.584854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.584854 (E_RNA)
where:
Base-Base interactions energy: -306.515
where: short stacking energy: -147.819
Base-Backbone interact. energy: 0.139
local terms energy: -156.208481
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -42.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -459.899433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.899433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.899433 (E_RNA)
where:
Base-Base interactions energy: -312.968
where: short stacking energy: -130.295
Base-Backbone interact. energy: -0.711
local terms energy: -146.220989
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -403.109131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.109131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.109131 (E_RNA)
where:
Base-Base interactions energy: -265.621
where: short stacking energy: -130.501
Base-Backbone interact. energy: -0.752
local terms energy: -136.735717
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -34.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -341.986690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.986690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.986690 (E_RNA)
where:
Base-Base interactions energy: -223.244
where: short stacking energy: -106.688
Base-Backbone interact. energy: 1.913
local terms energy: -120.655806
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -343.243212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.243212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.243212 (E_RNA)
where:
Base-Base interactions energy: -224.920
where: short stacking energy: -90.279
Base-Backbone interact. energy: 0.972
local terms energy: -119.295606
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -294.660360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.660360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.660360 (E_RNA)
where:
Base-Base interactions energy: -172.911
where: short stacking energy: -83.018
Base-Backbone interact. energy: -0.998
local terms energy: -120.751651
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -223.817574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.817574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.817574 (E_RNA)
where:
Base-Base interactions energy: -120.133
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.361
local terms energy: -103.322943
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -33.026
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -7.853
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: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -143.080625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.080625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.080625 (E_RNA)
where:
Base-Base interactions energy: -48.791
where: short stacking energy: -42.476
Base-Backbone interact. energy: -0.708
local terms energy: -93.581800
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -155.748399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.748399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.748399 (E_RNA)
where:
Base-Base interactions energy: -71.535
where: short stacking energy: -44.327
Base-Backbone interact. energy: 0.005
local terms energy: -84.218350
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: 5.050
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: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -151.037805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.037805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.037805 (E_RNA)
where:
Base-Base interactions energy: -78.401
where: short stacking energy: -49.270
Base-Backbone interact. energy: -0.429
local terms energy: -72.208287
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: 2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -466.004424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.004424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.004424 (E_RNA)
where:
Base-Base interactions energy: -312.807
where: short stacking energy: -146.750
Base-Backbone interact. energy: 0.759
local terms energy: -153.956611
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -28.352
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -44.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -457.165384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.165384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.165384 (E_RNA)
where:
Base-Base interactions energy: -322.621
where: short stacking energy: -143.249
Base-Backbone interact. energy: -0.812
local terms energy: -133.732697
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -407.466120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.466120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.466120 (E_RNA)
where:
Base-Base interactions energy: -268.998
where: short stacking energy: -125.772
Base-Backbone interact. energy: -0.280
local terms energy: -138.188063
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -37.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -332.583647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.583647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.583647 (E_RNA)
where:
Base-Base interactions energy: -209.701
where: short stacking energy: -101.329
Base-Backbone interact. energy: 0.674
local terms energy: -123.557243
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -28.343
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: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -354.591950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.591950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.591950 (E_RNA)
where:
Base-Base interactions energy: -227.447
where: short stacking energy: -105.924
Base-Backbone interact. energy: -0.322
local terms energy: -126.823282
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -321.735796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.735796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.735796 (E_RNA)
where:
Base-Base interactions energy: -195.459
where: short stacking energy: -103.582
Base-Backbone interact. energy: 0.989
local terms energy: -127.265202
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -35.267
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -21.926
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: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -237.459212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.459212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.459212 (E_RNA)
where:
Base-Base interactions energy: -130.351
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.991
local terms energy: -106.117834
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -15.527
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: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -151.933088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.933088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.933088 (E_RNA)
where:
Base-Base interactions energy: -52.502
where: short stacking energy: -33.769
Base-Backbone interact. energy: -0.661
local terms energy: -98.769539
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -15.001
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: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -151.441840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.441840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.441840 (E_RNA)
where:
Base-Base interactions energy: -58.635
where: short stacking energy: -49.234
Base-Backbone interact. energy: -0.332
local terms energy: -92.474496
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -146.682474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.682474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.682474 (E_RNA)
where:
Base-Base interactions energy: -53.646
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.781
local terms energy: -92.254748
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -462.664455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.664455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.664455 (E_RNA)
where:
Base-Base interactions energy: -307.179
where: short stacking energy: -141.821
Base-Backbone interact. energy: 1.088
local terms energy: -156.573728
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -41.835
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: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -448.231671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.231671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.231671 (E_RNA)
where:
Base-Base interactions energy: -301.428
where: short stacking energy: -128.208
Base-Backbone interact. energy: -0.370
local terms energy: -146.433773
where:
bonds (distance) C4'-P energy: -30.128
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -38.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -414.776164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.776164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.776164 (E_RNA)
where:
Base-Base interactions energy: -272.795
where: short stacking energy: -118.169
Base-Backbone interact. energy: -0.035
local terms energy: -141.945738
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -38.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -331.629255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.629255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.629255 (E_RNA)
where:
Base-Base interactions energy: -210.447
where: short stacking energy: -102.013
Base-Backbone interact. energy: -0.206
local terms energy: -120.975697
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -322.617581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.617581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.617581 (E_RNA)
where:
Base-Base interactions energy: -200.527
where: short stacking energy: -105.682
Base-Backbone interact. energy: -0.226
local terms energy: -121.864249
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -30.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -356.474886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.474886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.474886 (E_RNA)
where:
Base-Base interactions energy: -219.260
where: short stacking energy: -102.259
Base-Backbone interact. energy: -1.133
local terms energy: -136.081660
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -30.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -245.871379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.871379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.871379 (E_RNA)
where:
Base-Base interactions energy: -152.225
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.356
local terms energy: -93.289862
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -147.004304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.004304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.004304 (E_RNA)
where:
Base-Base interactions energy: -65.650
where: short stacking energy: -33.084
Base-Backbone interact. energy: 1.348
local terms energy: -82.702985
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -142.978692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.978692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.978692 (E_RNA)
where:
Base-Base interactions energy: -52.801
where: short stacking energy: -30.641
Base-Backbone interact. energy: 0.268
local terms energy: -90.445279
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -30.831
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: 1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -127.136856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.136856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.136856 (E_RNA)
where:
Base-Base interactions energy: -50.143
where: short stacking energy: -44.658
Base-Backbone interact. energy: -1.111
local terms energy: -75.882206
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: 1.598
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: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -459.230615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.230615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.230615 (E_RNA)
where:
Base-Base interactions energy: -310.302
where: short stacking energy: -137.587
Base-Backbone interact. energy: -0.495
local terms energy: -148.433278
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -24.894
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: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -430.334339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.334339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.334339 (E_RNA)
where:
Base-Base interactions energy: -296.420
where: short stacking energy: -126.862
Base-Backbone interact. energy: -0.548
local terms energy: -133.366439
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -35.895
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: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -425.387423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.387423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.387423 (E_RNA)
where:
Base-Base interactions energy: -282.204
where: short stacking energy: -119.190
Base-Backbone interact. energy: -0.282
local terms energy: -142.901536
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -37.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -338.337835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.337835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.337835 (E_RNA)
where:
Base-Base interactions energy: -214.815
where: short stacking energy: -102.179
Base-Backbone interact. energy: -0.318
local terms energy: -123.205056
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -345.951722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.951722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.951722 (E_RNA)
where:
Base-Base interactions energy: -233.046
where: short stacking energy: -107.173
Base-Backbone interact. energy: -0.223
local terms energy: -112.682758
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -345.794517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.794517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.794517 (E_RNA)
where:
Base-Base interactions energy: -217.884
where: short stacking energy: -97.790
Base-Backbone interact. energy: -0.644
local terms energy: -127.266237
where:
bonds (distance) C4'-P energy: -27.212
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -27.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -234.068759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.068759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.068759 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -69.134
Base-Backbone interact. energy: -0.468
local terms energy: -102.134194
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -157.707389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.707389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.707389 (E_RNA)
where:
Base-Base interactions energy: -81.855
where: short stacking energy: -43.832
Base-Backbone interact. energy: -0.936
local terms energy: -74.915806
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: 2.726
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: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -145.317712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.317712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.317712 (E_RNA)
where:
Base-Base interactions energy: -43.034
where: short stacking energy: -39.011
Base-Backbone interact. energy: 2.089
local terms energy: -104.373132
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -5.425
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: 63
Temperature: 1.350000
Total energy: -124.381718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.381718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.381718 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -41.926
Base-Backbone interact. energy: 0.207
local terms energy: -82.862980
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: 0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -470.012994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.012994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.012994 (E_RNA)
where:
Base-Base interactions energy: -312.057
where: short stacking energy: -147.384
Base-Backbone interact. energy: -2.579
local terms energy: -155.376428
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -44.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -424.563528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.563528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.563528 (E_RNA)
where:
Base-Base interactions energy: -277.951
where: short stacking energy: -130.796
Base-Backbone interact. energy: -0.125
local terms energy: -146.486790
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -41.267
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: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -434.682451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.682451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.682451 (E_RNA)
where:
Base-Base interactions energy: -284.632
where: short stacking energy: -134.210
Base-Backbone interact. energy: 0.157
local terms energy: -150.207583
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -31.045
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -45.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -358.332037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.332037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.332037 (E_RNA)
where:
Base-Base interactions energy: -224.285
where: short stacking energy: -105.721
Base-Backbone interact. energy: -0.782
local terms energy: -133.265424
where:
bonds (distance) C4'-P energy: -28.818
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -378.402058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.402058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.402058 (E_RNA)
where:
Base-Base interactions energy: -244.643
where: short stacking energy: -115.266
Base-Backbone interact. energy: -0.173
local terms energy: -133.586791
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -31.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -280.673339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.673339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.673339 (E_RNA)
where:
Base-Base interactions energy: -160.014
where: short stacking energy: -80.515
Base-Backbone interact. energy: -0.223
local terms energy: -120.436838
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -22.783
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: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -227.498396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.498396 (E_RNA)
where:
Base-Base interactions energy: -121.840
where: short stacking energy: -65.947
Base-Backbone interact. energy: -1.505
local terms energy: -104.153152
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -169.444238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.444238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.444238 (E_RNA)
where:
Base-Base interactions energy: -67.570
where: short stacking energy: -62.981
Base-Backbone interact. energy: 0.853
local terms energy: -102.727819
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -134.652231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.652231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.652231 (E_RNA)
where:
Base-Base interactions energy: -50.441
where: short stacking energy: -44.980
Base-Backbone interact. energy: -1.845
local terms energy: -82.365902
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -0.524
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: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -188.350382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.350382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.350382 (E_RNA)
where:
Base-Base interactions energy: -96.113
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.368
local terms energy: -91.869754
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -7.861
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: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -467.681545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.681545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.681545 (E_RNA)
where:
Base-Base interactions energy: -313.883
where: short stacking energy: -139.916
Base-Backbone interact. energy: -0.338
local terms energy: -153.461440
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -41.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -453.061750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.061750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.061750 (E_RNA)
where:
Base-Base interactions energy: -303.269
where: short stacking energy: -137.884
Base-Backbone interact. energy: -0.458
local terms energy: -149.334574
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -43.297
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: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -412.575397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.575397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.575397 (E_RNA)
where:
Base-Base interactions energy: -274.755
where: short stacking energy: -122.664
Base-Backbone interact. energy: -0.230
local terms energy: -137.590165
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -37.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -392.635978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.635978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.635978 (E_RNA)
where:
Base-Base interactions energy: -244.739
where: short stacking energy: -125.705
Base-Backbone interact. energy: -0.286
local terms energy: -147.610533
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -34.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -336.969967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.969967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.969967 (E_RNA)
where:
Base-Base interactions energy: -195.934
where: short stacking energy: -101.016
Base-Backbone interact. energy: -2.254
local terms energy: -138.781668
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -27.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -279.786359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.786359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.786359 (E_RNA)
where:
Base-Base interactions energy: -160.871
where: short stacking energy: -83.004
Base-Backbone interact. energy: -0.272
local terms energy: -118.643239
where:
bonds (distance) C4'-P energy: -29.805
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -276.945579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.945579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.945579 (E_RNA)
where:
Base-Base interactions energy: -161.235
where: short stacking energy: -98.418
Base-Backbone interact. energy: -0.220
local terms energy: -115.490587
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -29.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -150.780015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.780015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.780015 (E_RNA)
where:
Base-Base interactions energy: -59.975
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.722
local terms energy: -90.082828
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -1.152
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: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -141.722173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.722173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.722173 (E_RNA)
where:
Base-Base interactions energy: -70.847
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.662
local terms energy: -70.213653
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -198.925518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.925518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.925518 (E_RNA)
where:
Base-Base interactions energy: -101.555
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.132
local terms energy: -97.238664
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -480.120921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.120921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.120921 (E_RNA)
where:
Base-Base interactions energy: -329.143
where: short stacking energy: -147.351
Base-Backbone interact. energy: -0.930
local terms energy: -150.047796
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -21.862
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: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -455.961333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.961333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.961333 (E_RNA)
where:
Base-Base interactions energy: -318.386
where: short stacking energy: -151.359
Base-Backbone interact. energy: -1.935
local terms energy: -135.640180
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -16.543
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: 66
Temperature: 1.000000
Total energy: -430.214241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.214241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.214241 (E_RNA)
where:
Base-Base interactions energy: -284.538
where: short stacking energy: -124.491
Base-Backbone interact. energy: -0.460
local terms energy: -145.215561
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -34.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -374.986354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.986354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.986354 (E_RNA)
where:
Base-Base interactions energy: -245.479
where: short stacking energy: -129.227
Base-Backbone interact. energy: -0.645
local terms energy: -128.862842
where:
bonds (distance) C4'-P energy: -26.686
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -28.030
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -327.662532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.662532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.662532 (E_RNA)
where:
Base-Base interactions energy: -210.818
where: short stacking energy: -87.474
Base-Backbone interact. energy: 0.058
local terms energy: -116.903116
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -290.115591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.115591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.115591 (E_RNA)
where:
Base-Base interactions energy: -173.185
where: short stacking energy: -101.996
Base-Backbone interact. energy: 2.842
local terms energy: -119.771826
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -17.963
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -249.374829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.374829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.374829 (E_RNA)
where:
Base-Base interactions energy: -140.579
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.311
local terms energy: -108.484952
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -153.732323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.732323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.732323 (E_RNA)
where:
Base-Base interactions energy: -59.638
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.120
local terms energy: -93.973997
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -6.790
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: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -210.056136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.056136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.056136 (E_RNA)
where:
Base-Base interactions energy: -103.953
where: short stacking energy: -58.037
Base-Backbone interact. energy: 1.871
local terms energy: -107.974038
where:
bonds (distance) C4'-P energy: -32.128
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -26.129
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -10.922
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: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -156.486164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.486164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.486164 (E_RNA)
where:
Base-Base interactions energy: -62.081
where: short stacking energy: -48.121
Base-Backbone interact. energy: 1.060
local terms energy: -95.465708
where:
bonds (distance) C4'-P energy: -29.743
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: 3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -474.362322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.362322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.362322 (E_RNA)
where:
Base-Base interactions energy: -320.766
where: short stacking energy: -146.051
Base-Backbone interact. energy: -0.229
local terms energy: -153.367478
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -21.150
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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -461.374240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.374240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.374240 (E_RNA)
where:
Base-Base interactions energy: -315.660
where: short stacking energy: -134.434
Base-Backbone interact. energy: -0.836
local terms energy: -144.878366
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -39.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -437.058315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.058315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.058315 (E_RNA)
where:
Base-Base interactions energy: -298.841
where: short stacking energy: -129.250
Base-Backbone interact. energy: 4.847
local terms energy: -143.064158
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -36.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -371.609184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.609184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.609184 (E_RNA)
where:
Base-Base interactions energy: -230.835
where: short stacking energy: -105.068
Base-Backbone interact. energy: -1.819
local terms energy: -138.955397
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -29.112
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: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -300.868295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.868295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.868295 (E_RNA)
where:
Base-Base interactions energy: -180.388
where: short stacking energy: -94.671
Base-Backbone interact. energy: -0.887
local terms energy: -119.593276
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -274.785237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.785237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.785237 (E_RNA)
where:
Base-Base interactions energy: -168.089
where: short stacking energy: -77.004
Base-Backbone interact. energy: -0.301
local terms energy: -106.394727
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -222.638315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.638315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.638315 (E_RNA)
where:
Base-Base interactions energy: -116.024
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.312
local terms energy: -106.302486
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -12.254
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -155.463018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.463018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.463018 (E_RNA)
where:
Base-Base interactions energy: -52.978
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.278
local terms energy: -102.206840
where:
bonds (distance) C4'-P energy: -26.020
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -13.384
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: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -133.798736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.798736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.798736 (E_RNA)
where:
Base-Base interactions energy: -53.169
where: short stacking energy: -45.827
Base-Backbone interact. energy: -0.825
local terms energy: -79.805332
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -136.561267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.561267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.561267 (E_RNA)
where:
Base-Base interactions energy: -42.220
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.266
local terms energy: -94.074976
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -469.043870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.043870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.043870 (E_RNA)
where:
Base-Base interactions energy: -318.733
where: short stacking energy: -134.218
Base-Backbone interact. energy: -1.242
local terms energy: -149.068633
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -44.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -449.123919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.123919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.123919 (E_RNA)
where:
Base-Base interactions energy: -302.241
where: short stacking energy: -137.783
Base-Backbone interact. energy: -2.346
local terms energy: -144.537072
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -34.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -422.491029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.491029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.491029 (E_RNA)
where:
Base-Base interactions energy: -284.080
where: short stacking energy: -127.421
Base-Backbone interact. energy: -0.684
local terms energy: -137.727261
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -31.058
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: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -372.028765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.028765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.028765 (E_RNA)
where:
Base-Base interactions energy: -240.481
where: short stacking energy: -117.332
Base-Backbone interact. energy: -0.878
local terms energy: -130.669696
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -36.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -320.925143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.925143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.925143 (E_RNA)
where:
Base-Base interactions energy: -198.334
where: short stacking energy: -91.479
Base-Backbone interact. energy: -2.030
local terms energy: -120.561478
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -291.507839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.507839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.507839 (E_RNA)
where:
Base-Base interactions energy: -174.482
where: short stacking energy: -75.030
Base-Backbone interact. energy: -0.931
local terms energy: -116.095338
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -14.502
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: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -239.085757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.085757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.085757 (E_RNA)
where:
Base-Base interactions energy: -138.896
where: short stacking energy: -76.749
Base-Backbone interact. energy: -0.267
local terms energy: -99.923075
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -174.308223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.308223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.308223 (E_RNA)
where:
Base-Base interactions energy: -72.393
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.551
local terms energy: -101.364652
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -28.727
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -142.518792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.518792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.518792 (E_RNA)
where:
Base-Base interactions energy: -48.534
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.218
local terms energy: -93.766998
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -8.084
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: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -147.160246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.160246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.160246 (E_RNA)
where:
Base-Base interactions energy: -62.687
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.230
local terms energy: -84.243066
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -473.339129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.339129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.339129 (E_RNA)
where:
Base-Base interactions energy: -326.914
where: short stacking energy: -129.008
Base-Backbone interact. energy: -0.052
local terms energy: -146.373313
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -44.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -436.615245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.615245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.615245 (E_RNA)
where:
Base-Base interactions energy: -297.354
where: short stacking energy: -128.571
Base-Backbone interact. energy: -1.283
local terms energy: -137.977923
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -28.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -447.565396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.565396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.565396 (E_RNA)
where:
Base-Base interactions energy: -301.245
where: short stacking energy: -135.380
Base-Backbone interact. energy: -0.768
local terms energy: -145.551688
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -18.035
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: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -396.125925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.125925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.125925 (E_RNA)
where:
Base-Base interactions energy: -248.636
where: short stacking energy: -120.163
Base-Backbone interact. energy: -0.959
local terms energy: -146.530741
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -38.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -331.105197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.105197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.105197 (E_RNA)
where:
Base-Base interactions energy: -201.369
where: short stacking energy: -103.479
Base-Backbone interact. energy: 0.062
local terms energy: -129.798522
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -28.395
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: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -305.101747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.101747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.101747 (E_RNA)
where:
Base-Base interactions energy: -188.246
where: short stacking energy: -74.620
Base-Backbone interact. energy: -0.544
local terms energy: -116.311770
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -212.432041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.432041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.432041 (E_RNA)
where:
Base-Base interactions energy: -105.186
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.216
local terms energy: -107.029804
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -149.807465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.807465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.807465 (E_RNA)
where:
Base-Base interactions energy: -59.432
where: short stacking energy: -42.389
Base-Backbone interact. energy: -1.119
local terms energy: -89.255959
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -150.497520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.497520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.497520 (E_RNA)
where:
Base-Base interactions energy: -60.630
where: short stacking energy: -45.975
Base-Backbone interact. energy: 2.242
local terms energy: -92.109455
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -141.943073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.943073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.943073 (E_RNA)
where:
Base-Base interactions energy: -51.684
where: short stacking energy: -50.005
Base-Backbone interact. energy: 0.408
local terms energy: -90.667473
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -0.506
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: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -478.346108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.346108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.346108 (E_RNA)
where:
Base-Base interactions energy: -328.222
where: short stacking energy: -140.178
Base-Backbone interact. energy: -0.602
local terms energy: -149.522214
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -44.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -438.428623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.428623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.428623 (E_RNA)
where:
Base-Base interactions energy: -299.480
where: short stacking energy: -123.924
Base-Backbone interact. energy: -1.028
local terms energy: -137.920416
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -33.327
flat angles C4'-P-C4' energy: -34.330
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -28.330
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -455.746969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.746969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.746969 (E_RNA)
where:
Base-Base interactions energy: -307.278
where: short stacking energy: -138.245
Base-Backbone interact. energy: 1.456
local terms energy: -149.924674
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -38.373
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: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -407.643857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.643857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.643857 (E_RNA)
where:
Base-Base interactions energy: -254.063
where: short stacking energy: -135.498
Base-Backbone interact. energy: -0.132
local terms energy: -153.448335
where:
bonds (distance) C4'-P energy: -30.517
bonds (distance) P-C4' energy: -32.380
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -40.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -337.884183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.884183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.884183 (E_RNA)
where:
Base-Base interactions energy: -205.536
where: short stacking energy: -98.125
Base-Backbone interact. energy: -0.694
local terms energy: -131.654160
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -31.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -299.216339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.216339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.216339 (E_RNA)
where:
Base-Base interactions energy: -184.338
where: short stacking energy: -89.285
Base-Backbone interact. energy: -0.982
local terms energy: -113.896264
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -242.431850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.431850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.431850 (E_RNA)
where:
Base-Base interactions energy: -139.589
where: short stacking energy: -79.987
Base-Backbone interact. energy: 0.332
local terms energy: -103.174465
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -161.929053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.929053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929053 (E_RNA)
where:
Base-Base interactions energy: -75.720
where: short stacking energy: -56.553
Base-Backbone interact. energy: -1.131
local terms energy: -85.078817
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: 3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -143.608223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.608223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.608223 (E_RNA)
where:
Base-Base interactions energy: -51.757
where: short stacking energy: -52.599
Base-Backbone interact. energy: 1.199
local terms energy: -93.049593
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -142.998468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.998468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.998468 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -29.579
Base-Backbone interact. energy: -1.424
local terms energy: -99.994165
where:
bonds (distance) C4'-P energy: -29.604
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -6.021
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: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -487.869511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.869511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.869511 (E_RNA)
where:
Base-Base interactions energy: -325.651
where: short stacking energy: -140.073
Base-Backbone interact. energy: -0.862
local terms energy: -161.356079
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -42.542
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: 71
Temperature: 0.950000
Total energy: -458.762032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.762032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.762032 (E_RNA)
where:
Base-Base interactions energy: -313.419
where: short stacking energy: -142.603
Base-Backbone interact. energy: -1.746
local terms energy: -143.597577
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -42.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -427.152871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.152871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.152871 (E_RNA)
where:
Base-Base interactions energy: -293.023
where: short stacking energy: -132.529
Base-Backbone interact. energy: -0.973
local terms energy: -133.156110
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -20.543
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: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -387.793876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.793876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.793876 (E_RNA)
where:
Base-Base interactions energy: -246.576
where: short stacking energy: -122.598
Base-Backbone interact. energy: -0.142
local terms energy: -141.076098
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -334.373607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.373607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.373607 (E_RNA)
where:
Base-Base interactions energy: -216.444
where: short stacking energy: -107.166
Base-Backbone interact. energy: -0.776
local terms energy: -117.153578
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -26.186
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -26.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -288.199328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.199328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.199328 (E_RNA)
where:
Base-Base interactions energy: -167.196
where: short stacking energy: -88.423
Base-Backbone interact. energy: -0.083
local terms energy: -120.919725
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -16.357
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: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -260.636678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.636678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.636678 (E_RNA)
where:
Base-Base interactions energy: -143.603
where: short stacking energy: -79.401
Base-Backbone interact. energy: -1.307
local terms energy: -115.726263
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -19.588
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: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -161.446120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.446120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.446120 (E_RNA)
where:
Base-Base interactions energy: -70.289
where: short stacking energy: -59.828
Base-Backbone interact. energy: -1.418
local terms energy: -89.739529
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -138.311221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.311221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.311221 (E_RNA)
where:
Base-Base interactions energy: -43.575
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.070
local terms energy: -94.666222
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: 3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -140.429340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.429340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.429340 (E_RNA)
where:
Base-Base interactions energy: -45.429
where: short stacking energy: -25.694
Base-Backbone interact. energy: 1.420
local terms energy: -96.420563
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: 4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -479.732176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.732176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.732176 (E_RNA)
where:
Base-Base interactions energy: -322.592
where: short stacking energy: -141.746
Base-Backbone interact. energy: -0.519
local terms energy: -156.620942
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -44.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -461.570904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.570904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.570904 (E_RNA)
where:
Base-Base interactions energy: -314.876
where: short stacking energy: -146.580
Base-Backbone interact. energy: -1.320
local terms energy: -145.374779
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -41.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -434.768181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.768181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.768181 (E_RNA)
where:
Base-Base interactions energy: -296.121
where: short stacking energy: -131.540
Base-Backbone interact. energy: -0.605
local terms energy: -138.041750
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -37.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -369.503337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.503337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.503337 (E_RNA)
where:
Base-Base interactions energy: -241.952
where: short stacking energy: -107.681
Base-Backbone interact. energy: -0.155
local terms energy: -127.396903
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -26.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -287.657058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.657058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.657058 (E_RNA)
where:
Base-Base interactions energy: -182.600
where: short stacking energy: -92.010
Base-Backbone interact. energy: -1.653
local terms energy: -103.403687
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -279.324617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.324617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.324617 (E_RNA)
where:
Base-Base interactions energy: -170.666
where: short stacking energy: -91.870
Base-Backbone interact. energy: -0.542
local terms energy: -108.116759
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -17.031
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: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -165.108698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.108698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.108698 (E_RNA)
where:
Base-Base interactions energy: -72.684
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.310
local terms energy: -92.114552
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -228.213796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.213796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.213796 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.861
local terms energy: -112.065103
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -135.874156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.874156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.874156 (E_RNA)
where:
Base-Base interactions energy: -61.466
where: short stacking energy: -43.139
Base-Backbone interact. energy: -0.065
local terms energy: -74.342616
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -138.077834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.077834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.077834 (E_RNA)
where:
Base-Base interactions energy: -63.905
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.532
local terms energy: -73.640966
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: 3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -473.841161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.841161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.841161 (E_RNA)
where:
Base-Base interactions energy: -318.333
where: short stacking energy: -133.990
Base-Backbone interact. energy: 1.307
local terms energy: -156.815109
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -25.763
tors. eta vs tors. theta energy: -41.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -465.053162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.053162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.053162 (E_RNA)
where:
Base-Base interactions energy: -309.918
where: short stacking energy: -129.626
Base-Backbone interact. energy: -0.864
local terms energy: -154.270362
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -36.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -427.142954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.142954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.142954 (E_RNA)
where:
Base-Base interactions energy: -282.501
where: short stacking energy: -116.352
Base-Backbone interact. energy: -0.394
local terms energy: -144.247716
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -29.650
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -38.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -372.066946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.066946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.066946 (E_RNA)
where:
Base-Base interactions energy: -237.100
where: short stacking energy: -115.118
Base-Backbone interact. energy: -0.239
local terms energy: -134.728086
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -32.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -331.301929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.301929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.301929 (E_RNA)
where:
Base-Base interactions energy: -203.214
where: short stacking energy: -95.071
Base-Backbone interact. energy: -0.711
local terms energy: -127.376095
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -264.311638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.311638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.311638 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.299
local terms energy: -118.697200
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -156.056956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.056956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.056956 (E_RNA)
where:
Base-Base interactions energy: -70.594
where: short stacking energy: -49.696
Base-Backbone interact. energy: -0.287
local terms energy: -85.176163
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -221.762736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.762736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.762736 (E_RNA)
where:
Base-Base interactions energy: -111.495
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.098
local terms energy: -110.169511
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -140.949272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.949272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.949272 (E_RNA)
where:
Base-Base interactions energy: -55.025
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.561
local terms energy: -85.363206
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -164.465811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.465811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.465811 (E_RNA)
where:
Base-Base interactions energy: -85.678
where: short stacking energy: -50.992
Base-Backbone interact. energy: -1.283
local terms energy: -77.504886
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -0.131
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -488.684251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.684251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.684251 (E_RNA)
where:
Base-Base interactions energy: -335.105
where: short stacking energy: -135.880
Base-Backbone interact. energy: -1.498
local terms energy: -152.080676
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -32.985
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -42.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -465.214733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.214733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.214733 (E_RNA)
where:
Base-Base interactions energy: -313.708
where: short stacking energy: -128.464
Base-Backbone interact. energy: -0.137
local terms energy: -151.369533
where:
bonds (distance) C4'-P energy: -32.419
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -39.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -430.891655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.891655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.891655 (E_RNA)
where:
Base-Base interactions energy: -284.971
where: short stacking energy: -129.775
Base-Backbone interact. energy: -0.666
local terms energy: -145.254351
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -16.322
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -378.904837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.904837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.904837 (E_RNA)
where:
Base-Base interactions energy: -238.451
where: short stacking energy: -131.478
Base-Backbone interact. energy: -0.582
local terms energy: -139.871271
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -37.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -302.749357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.749357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.749357 (E_RNA)
where:
Base-Base interactions energy: -185.331
where: short stacking energy: -103.175
Base-Backbone interact. energy: -0.815
local terms energy: -116.602700
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -29.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -294.440148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.440148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.440148 (E_RNA)
where:
Base-Base interactions energy: -184.497
where: short stacking energy: -93.735
Base-Backbone interact. energy: 0.819
local terms energy: -110.762169
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -21.600
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: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -224.855742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.855742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.855742 (E_RNA)
where:
Base-Base interactions energy: -117.734
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.118
local terms energy: -107.004190
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -19.455
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: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -176.644617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.644617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.644617 (E_RNA)
where:
Base-Base interactions energy: -88.682
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.290
local terms energy: -87.672729
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -3.290
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: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -142.261837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.261837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.261837 (E_RNA)
where:
Base-Base interactions energy: -55.111
where: short stacking energy: -49.449
Base-Backbone interact. energy: 0.351
local terms energy: -87.501163
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -141.748620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.748620 (E_RNA)
where:
Base-Base interactions energy: -42.327
where: short stacking energy: -35.243
Base-Backbone interact. energy: 0.255
local terms energy: -99.676476
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -479.989317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.989317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.989317 (E_RNA)
where:
Base-Base interactions energy: -323.745
where: short stacking energy: -144.118
Base-Backbone interact. energy: 0.105
local terms energy: -156.348611
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -40.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -435.655635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.655635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.655635 (E_RNA)
where:
Base-Base interactions energy: -287.907
where: short stacking energy: -124.971
Base-Backbone interact. energy: -0.107
local terms energy: -147.641108
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -36.200
flat angles P-C4'-P energy: -22.514
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: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -462.877139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.877139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.877139 (E_RNA)
where:
Base-Base interactions energy: -311.698
where: short stacking energy: -135.179
Base-Backbone interact. energy: -1.023
local terms energy: -150.155767
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -42.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -371.149962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.149962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.149962 (E_RNA)
where:
Base-Base interactions energy: -240.235
where: short stacking energy: -111.974
Base-Backbone interact. energy: -0.606
local terms energy: -130.308449
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -317.534041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.534041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.534041 (E_RNA)
where:
Base-Base interactions energy: -193.970
where: short stacking energy: -92.338
Base-Backbone interact. energy: -0.413
local terms energy: -123.151619
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -278.913098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.913098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.913098 (E_RNA)
where:
Base-Base interactions energy: -162.116
where: short stacking energy: -78.623
Base-Backbone interact. energy: -0.503
local terms energy: -116.293625
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -14.418
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: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -218.031275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.031275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.031275 (E_RNA)
where:
Base-Base interactions energy: -115.125
where: short stacking energy: -68.603
Base-Backbone interact. energy: 0.123
local terms energy: -103.028927
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -201.581516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.581516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.581516 (E_RNA)
where:
Base-Base interactions energy: -105.753
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.378
local terms energy: -95.451123
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -2.987
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: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -137.033846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.033846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.033846 (E_RNA)
where:
Base-Base interactions energy: -52.448
where: short stacking energy: -39.585
Base-Backbone interact. energy: -0.602
local terms energy: -83.984422
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -156.519173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.519173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.519173 (E_RNA)
where:
Base-Base interactions energy: -71.373
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.339
local terms energy: -84.807568
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -442.203632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.203632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.203632 (E_RNA)
where:
Base-Base interactions energy: -289.896
where: short stacking energy: -132.163
Base-Backbone interact. energy: 2.137
local terms energy: -154.444696
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -34.690
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -35.041
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: 76
Temperature: 0.950000
Total energy: -460.978067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.978067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.978067 (E_RNA)
where:
Base-Base interactions energy: -309.823
where: short stacking energy: -134.459
Base-Backbone interact. energy: -0.637
local terms energy: -150.518066
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -448.405212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.405212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.405212 (E_RNA)
where:
Base-Base interactions energy: -296.164
where: short stacking energy: -134.708
Base-Backbone interact. energy: -0.412
local terms energy: -151.828728
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -383.846193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.846193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.846193 (E_RNA)
where:
Base-Base interactions energy: -241.012
where: short stacking energy: -124.269
Base-Backbone interact. energy: -0.245
local terms energy: -142.588931
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -39.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -298.271145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.271145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.271145 (E_RNA)
where:
Base-Base interactions energy: -179.141
where: short stacking energy: -93.998
Base-Backbone interact. energy: -0.125
local terms energy: -119.004954
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -23.222
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: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -283.880958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.880958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.880958 (E_RNA)
where:
Base-Base interactions energy: -165.824
where: short stacking energy: -83.087
Base-Backbone interact. energy: -3.201
local terms energy: -114.855884
where:
bonds (distance) C4'-P energy: -25.434
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -243.933185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.933185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.933185 (E_RNA)
where:
Base-Base interactions energy: -137.200
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.281
local terms energy: -106.451784
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -14.253
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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -157.750063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.750063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.750063 (E_RNA)
where:
Base-Base interactions energy: -66.325
where: short stacking energy: -39.754
Base-Backbone interact. energy: -1.440
local terms energy: -89.985054
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -152.831692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.831692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.831692 (E_RNA)
where:
Base-Base interactions energy: -59.639
where: short stacking energy: -43.747
Base-Backbone interact. energy: -1.127
local terms energy: -92.065325
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -2.327
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: 76
Temperature: 1.350000
Total energy: -125.868433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.868433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.868433 (E_RNA)
where:
Base-Base interactions energy: -54.237
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.813
local terms energy: -70.818310
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: 4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -443.656826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.656826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.656826 (E_RNA)
where:
Base-Base interactions energy: -286.433
where: short stacking energy: -120.124
Base-Backbone interact. energy: -0.560
local terms energy: -156.662902
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -40.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -472.579224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.579224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.579224 (E_RNA)
where:
Base-Base interactions energy: -321.249
where: short stacking energy: -129.293
Base-Backbone interact. energy: -1.582
local terms energy: -149.747876
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -33.703
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -38.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -450.111878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.111878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.111878 (E_RNA)
where:
Base-Base interactions energy: -297.685
where: short stacking energy: -132.270
Base-Backbone interact. energy: -1.195
local terms energy: -151.231787
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -42.039
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: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -403.771599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.771599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.771599 (E_RNA)
where:
Base-Base interactions energy: -261.403
where: short stacking energy: -128.835
Base-Backbone interact. energy: -0.088
local terms energy: -142.280595
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -37.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -299.995004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.995004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.995004 (E_RNA)
where:
Base-Base interactions energy: -181.338
where: short stacking energy: -85.179
Base-Backbone interact. energy: -1.260
local terms energy: -117.396878
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -12.362
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -303.639569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.639569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.639569 (E_RNA)
where:
Base-Base interactions energy: -203.587
where: short stacking energy: -99.537
Base-Backbone interact. energy: 0.942
local terms energy: -100.994464
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -250.773125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.773125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.773125 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.082
local terms energy: -105.969769
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -11.578
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: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -153.050166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.050166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.050166 (E_RNA)
where:
Base-Base interactions energy: -58.469
where: short stacking energy: -42.996
Base-Backbone interact. energy: 1.445
local terms energy: -96.026758
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -145.971639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.971639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.971639 (E_RNA)
where:
Base-Base interactions energy: -61.144
where: short stacking energy: -53.680
Base-Backbone interact. energy: 2.573
local terms energy: -87.401427
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -158.359435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.359435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.359435 (E_RNA)
where:
Base-Base interactions energy: -67.490
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.001
local terms energy: -90.868111
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: 6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -480.707137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.707137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.707137 (E_RNA)
where:
Base-Base interactions energy: -333.086
where: short stacking energy: -138.912
Base-Backbone interact. energy: -1.159
local terms energy: -146.462886
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -37.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -440.224411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.224411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.224411 (E_RNA)
where:
Base-Base interactions energy: -294.814
where: short stacking energy: -136.673
Base-Backbone interact. energy: -2.451
local terms energy: -142.959892
where:
bonds (distance) C4'-P energy: -26.577
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -39.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -442.873107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.873107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.873107 (E_RNA)
where:
Base-Base interactions energy: -311.069
where: short stacking energy: -129.827
Base-Backbone interact. energy: -0.239
local terms energy: -131.564148
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -27.166
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -36.976
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: 78
Temperature: 1.050000
Total energy: -382.740553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.740553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.740553 (E_RNA)
where:
Base-Base interactions energy: -239.540
where: short stacking energy: -108.885
Base-Backbone interact. energy: -0.736
local terms energy: -142.464974
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -35.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -317.523331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.523331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.523331 (E_RNA)
where:
Base-Base interactions energy: -196.456
where: short stacking energy: -95.271
Base-Backbone interact. energy: -0.396
local terms energy: -120.672098
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -282.587459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.587459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.587459 (E_RNA)
where:
Base-Base interactions energy: -177.666
where: short stacking energy: -83.156
Base-Backbone interact. energy: 0.626
local terms energy: -105.547767
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -246.129942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.129942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.129942 (E_RNA)
where:
Base-Base interactions energy: -133.376
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.282
local terms energy: -112.471326
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -13.721
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: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -150.841354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.841354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.841354 (E_RNA)
where:
Base-Base interactions energy: -49.342
where: short stacking energy: -47.370
Base-Backbone interact. energy: 0.490
local terms energy: -101.988911
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -10.922
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: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -157.970025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.970025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.970025 (E_RNA)
where:
Base-Base interactions energy: -64.055
where: short stacking energy: -60.522
Base-Backbone interact. energy: -0.580
local terms energy: -93.334988
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -29.936
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -7.123
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -135.156466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.156466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.156466 (E_RNA)
where:
Base-Base interactions energy: -76.189
where: short stacking energy: -55.670
Base-Backbone interact. energy: 0.231
local terms energy: -59.198240
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: 0.929
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: 79
Temperature: 0.900000
Total energy: -480.446710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.446710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.446710 (E_RNA)
where:
Base-Base interactions energy: -335.605
where: short stacking energy: -144.267
Base-Backbone interact. energy: -1.069
local terms energy: -143.772587
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -41.686
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: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -444.411568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.411568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.411568 (E_RNA)
where:
Base-Base interactions energy: -298.054
where: short stacking energy: -126.692
Base-Backbone interact. energy: -1.429
local terms energy: -144.928198
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -38.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -435.970572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.970572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.970572 (E_RNA)
where:
Base-Base interactions energy: -297.007
where: short stacking energy: -133.101
Base-Backbone interact. energy: -0.385
local terms energy: -138.578163
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -38.265
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: 79
Temperature: 1.050000
Total energy: -312.208374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.208374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.208374 (E_RNA)
where:
Base-Base interactions energy: -194.184
where: short stacking energy: -89.267
Base-Backbone interact. energy: -0.308
local terms energy: -117.716626
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -24.217
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: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -374.529871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.529871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.529871 (E_RNA)
where:
Base-Base interactions energy: -242.672
where: short stacking energy: -117.142
Base-Backbone interact. energy: -0.927
local terms energy: -130.930510
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -279.675578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.675578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.675578 (E_RNA)
where:
Base-Base interactions energy: -161.033
where: short stacking energy: -80.123
Base-Backbone interact. energy: -0.130
local terms energy: -118.512501
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -18.191
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: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -223.467291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467291 (E_RNA)
where:
Base-Base interactions energy: -115.581
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.820
local terms energy: -107.066145
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -154.912030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.912030 (E_RNA)
where:
Base-Base interactions energy: -62.373
where: short stacking energy: -55.824
Base-Backbone interact. energy: -1.137
local terms energy: -91.402844
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -147.153249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.153249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.153249 (E_RNA)
where:
Base-Base interactions energy: -55.763
where: short stacking energy: -55.763
Base-Backbone interact. energy: 0.141
local terms energy: -91.531045
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: 2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -140.305503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.305503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.305503 (E_RNA)
where:
Base-Base interactions energy: -60.494
where: short stacking energy: -23.968
Base-Backbone interact. energy: -0.302
local terms energy: -79.509163
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: 7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -486.277799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.277799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.277799 (E_RNA)
where:
Base-Base interactions energy: -346.858
where: short stacking energy: -136.342
Base-Backbone interact. energy: -0.893
local terms energy: -138.526276
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -34.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -443.153175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.153175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.153175 (E_RNA)
where:
Base-Base interactions energy: -308.274
where: short stacking energy: -131.707
Base-Backbone interact. energy: 0.132
local terms energy: -135.011400
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -38.328
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: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -411.225562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.225562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.225562 (E_RNA)
where:
Base-Base interactions energy: -283.049
where: short stacking energy: -133.137
Base-Backbone interact. energy: 0.391
local terms energy: -128.567702
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -35.919
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: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -322.449654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.449654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.449654 (E_RNA)
where:
Base-Base interactions energy: -197.920
where: short stacking energy: -104.406
Base-Backbone interact. energy: -0.180
local terms energy: -124.350019
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -365.807393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.807393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.807393 (E_RNA)
where:
Base-Base interactions energy: -242.519
where: short stacking energy: -109.377
Base-Backbone interact. energy: -0.944
local terms energy: -122.344390
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -265.602584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.602584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.602584 (E_RNA)
where:
Base-Base interactions energy: -173.467
where: short stacking energy: -75.486
Base-Backbone interact. energy: 1.054
local terms energy: -93.189290
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -166.632386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.632386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.632386 (E_RNA)
where:
Base-Base interactions energy: -65.536
where: short stacking energy: -52.370
Base-Backbone interact. energy: 0.140
local terms energy: -101.235819
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -183.293264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.293264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.293264 (E_RNA)
where:
Base-Base interactions energy: -93.147
where: short stacking energy: -47.565
Base-Backbone interact. energy: -0.832
local terms energy: -89.313991
where:
bonds (distance) C4'-P energy: -25.762
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -153.636086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.636086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.636086 (E_RNA)
where:
Base-Base interactions energy: -59.232
where: short stacking energy: -47.013
Base-Backbone interact. energy: -0.549
local terms energy: -93.855168
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -122.332653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.332653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.332653 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -47.644
Base-Backbone interact. energy: -0.622
local terms energy: -74.066725
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: 1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -474.226420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.226420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.226420 (E_RNA)
where:
Base-Base interactions energy: -325.543
where: short stacking energy: -128.637
Base-Backbone interact. energy: -1.116
local terms energy: -147.567127
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -38.543
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: 81
Temperature: 0.950000
Total energy: -470.457238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.457238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.457238 (E_RNA)
where:
Base-Base interactions energy: -319.570
where: short stacking energy: -137.821
Base-Backbone interact. energy: -0.478
local terms energy: -150.408423
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -417.478120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.478120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.478120 (E_RNA)
where:
Base-Base interactions energy: -281.819
where: short stacking energy: -129.263
Base-Backbone interact. energy: -0.141
local terms energy: -135.518818
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -21.547
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: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -371.217180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.217180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.217180 (E_RNA)
where:
Base-Base interactions energy: -238.351
where: short stacking energy: -119.582
Base-Backbone interact. energy: 0.979
local terms energy: -133.845501
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -31.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -325.653881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.653881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.653881 (E_RNA)
where:
Base-Base interactions energy: -186.570
where: short stacking energy: -92.536
Base-Backbone interact. energy: -0.648
local terms energy: -138.436111
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -298.266245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.266245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.266245 (E_RNA)
where:
Base-Base interactions energy: -183.342
where: short stacking energy: -89.984
Base-Backbone interact. energy: -0.804
local terms energy: -114.120988
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -192.744153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.744153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.744153 (E_RNA)
where:
Base-Base interactions energy: -90.247
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.850
local terms energy: -101.646924
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -2.423
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: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -157.669394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.669394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.669394 (E_RNA)
where:
Base-Base interactions energy: -54.719
where: short stacking energy: -39.208
Base-Backbone interact. energy: -0.307
local terms energy: -102.643868
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -148.401755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.401755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.401755 (E_RNA)
where:
Base-Base interactions energy: -42.821
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.058
local terms energy: -105.522183
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -4.757
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: 81
Temperature: 1.350000
Total energy: -146.227880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.227880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.227880 (E_RNA)
where:
Base-Base interactions energy: -66.593
where: short stacking energy: -43.239
Base-Backbone interact. energy: -0.529
local terms energy: -79.106377
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: 2.479
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -485.428600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.428600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.428600 (E_RNA)
where:
Base-Base interactions energy: -329.509
where: short stacking energy: -136.078
Base-Backbone interact. energy: -1.059
local terms energy: -154.860141
where:
bonds (distance) C4'-P energy: -33.242
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -45.071
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: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -462.941541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.941541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.941541 (E_RNA)
where:
Base-Base interactions energy: -318.890
where: short stacking energy: -135.862
Base-Backbone interact. energy: -0.006
local terms energy: -144.045522
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -38.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -421.731713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.731713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.731713 (E_RNA)
where:
Base-Base interactions energy: -278.752
where: short stacking energy: -128.663
Base-Backbone interact. energy: -0.717
local terms energy: -142.262148
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -36.631
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: 82
Temperature: 1.050000
Total energy: -371.008311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.008311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.008311 (E_RNA)
where:
Base-Base interactions energy: -230.106
where: short stacking energy: -118.855
Base-Backbone interact. energy: -0.166
local terms energy: -140.736714
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -30.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -349.745990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.745990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.745990 (E_RNA)
where:
Base-Base interactions energy: -218.694
where: short stacking energy: -88.942
Base-Backbone interact. energy: -1.632
local terms energy: -129.420319
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -30.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -314.017107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.017107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.017107 (E_RNA)
where:
Base-Base interactions energy: -203.717
where: short stacking energy: -88.674
Base-Backbone interact. energy: -0.665
local terms energy: -109.635626
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -203.508711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.508711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.508711 (E_RNA)
where:
Base-Base interactions energy: -106.577
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.572
local terms energy: -96.360220
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -7.602
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: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -144.525821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.525821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.525821 (E_RNA)
where:
Base-Base interactions energy: -58.167
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.198
local terms energy: -86.160328
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -25.919
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -161.608082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.608082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.608082 (E_RNA)
where:
Base-Base interactions energy: -69.081
where: short stacking energy: -56.822
Base-Backbone interact. energy: 0.044
local terms energy: -92.571669
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -141.127723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.127723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.127723 (E_RNA)
where:
Base-Base interactions energy: -51.666
where: short stacking energy: -41.281
Base-Backbone interact. energy: 0.143
local terms energy: -89.605051
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -473.160189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.160189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.160189 (E_RNA)
where:
Base-Base interactions energy: -325.361
where: short stacking energy: -133.999
Base-Backbone interact. energy: -0.971
local terms energy: -146.827603
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -27.489
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -39.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -465.193717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.193717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.193717 (E_RNA)
where:
Base-Base interactions energy: -322.414
where: short stacking energy: -126.572
Base-Backbone interact. energy: -1.633
local terms energy: -141.146990
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -38.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -407.496268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.496268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.496268 (E_RNA)
where:
Base-Base interactions energy: -269.049
where: short stacking energy: -109.198
Base-Backbone interact. energy: -0.735
local terms energy: -137.711727
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -30.575
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -31.820
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -368.008326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.008326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.008326 (E_RNA)
where:
Base-Base interactions energy: -229.998
where: short stacking energy: -118.814
Base-Backbone interact. energy: -1.338
local terms energy: -136.673005
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -33.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -354.573875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.573875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.573875 (E_RNA)
where:
Base-Base interactions energy: -231.491
where: short stacking energy: -85.630
Base-Backbone interact. energy: -0.940
local terms energy: -122.143177
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -254.629180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.629180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.629180 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -82.811
Base-Backbone interact. energy: -0.223
local terms energy: -110.990099
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -21.425
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: 83
Temperature: 1.200000
Total energy: -307.579833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.579833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.579833 (E_RNA)
where:
Base-Base interactions energy: -195.284
where: short stacking energy: -91.824
Base-Backbone interact. energy: -1.583
local terms energy: -110.712663
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -148.696565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.696565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.696565 (E_RNA)
where:
Base-Base interactions energy: -52.865
where: short stacking energy: -41.335
Base-Backbone interact. energy: -0.308
local terms energy: -95.523146
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -144.775217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.775217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.775217 (E_RNA)
where:
Base-Base interactions energy: -54.745
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.205
local terms energy: -89.825118
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: 2.879
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: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -147.341641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.341641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.341641 (E_RNA)
where:
Base-Base interactions energy: -63.688
where: short stacking energy: -51.024
Base-Backbone interact. energy: -0.234
local terms energy: -83.419138
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -465.467332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.467332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.467332 (E_RNA)
where:
Base-Base interactions energy: -321.049
where: short stacking energy: -125.630
Base-Backbone interact. energy: -0.413
local terms energy: -144.004775
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -33.233
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: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -472.360812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.360812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.360812 (E_RNA)
where:
Base-Base interactions energy: -323.649
where: short stacking energy: -134.948
Base-Backbone interact. energy: -0.912
local terms energy: -147.799526
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -35.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -415.793880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.793880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.793880 (E_RNA)
where:
Base-Base interactions energy: -269.379
where: short stacking energy: -117.669
Base-Backbone interact. energy: -0.853
local terms energy: -145.561742
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -40.689
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: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -373.750573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.750573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.750573 (E_RNA)
where:
Base-Base interactions energy: -235.232
where: short stacking energy: -105.455
Base-Backbone interact. energy: -0.294
local terms energy: -138.225181
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: -27.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -351.030370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.030370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.030370 (E_RNA)
where:
Base-Base interactions energy: -221.581
where: short stacking energy: -83.378
Base-Backbone interact. energy: -1.275
local terms energy: -128.174076
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -253.807116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.807116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.807116 (E_RNA)
where:
Base-Base interactions energy: -135.506
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.680
local terms energy: -117.621286
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -283.102000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.102000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.102000 (E_RNA)
where:
Base-Base interactions energy: -179.766
where: short stacking energy: -86.260
Base-Backbone interact. energy: -1.251
local terms energy: -102.084510
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -31.091
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -187.082133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.082133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.082133 (E_RNA)
where:
Base-Base interactions energy: -98.209
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.456
local terms energy: -88.417710
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -145.586546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.586546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.586546 (E_RNA)
where:
Base-Base interactions energy: -55.363
where: short stacking energy: -54.250
Base-Backbone interact. energy: -0.361
local terms energy: -89.862357
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -137.665333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.665333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.665333 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -38.846
Base-Backbone interact. energy: -0.312
local terms energy: -98.507731
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -470.869550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.869550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.869550 (E_RNA)
where:
Base-Base interactions energy: -326.019
where: short stacking energy: -139.166
Base-Backbone interact. energy: -0.160
local terms energy: -144.690162
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -42.853
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -467.777463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.777463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.777463 (E_RNA)
where:
Base-Base interactions energy: -319.666
where: short stacking energy: -132.037
Base-Backbone interact. energy: -0.557
local terms energy: -147.554861
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -37.007
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: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -434.674669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.674669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.674669 (E_RNA)
where:
Base-Base interactions energy: -291.818
where: short stacking energy: -129.051
Base-Backbone interact. energy: -1.443
local terms energy: -141.413247
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -35.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -386.226456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.226456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.226456 (E_RNA)
where:
Base-Base interactions energy: -242.534
where: short stacking energy: -128.898
Base-Backbone interact. energy: -0.370
local terms energy: -143.322330
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -41.264
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: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -312.767482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.767482 (E_RNA)
where:
Base-Base interactions energy: -191.031
where: short stacking energy: -93.711
Base-Backbone interact. energy: -0.386
local terms energy: -121.350203
where:
bonds (distance) C4'-P energy: -27.729
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -271.468221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.468221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.468221 (E_RNA)
where:
Base-Base interactions energy: -165.283
where: short stacking energy: -74.982
Base-Backbone interact. energy: -1.104
local terms energy: -105.081090
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -233.868779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.868779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.868779 (E_RNA)
where:
Base-Base interactions energy: -126.406
where: short stacking energy: -79.934
Base-Backbone interact. energy: -0.465
local terms energy: -106.997770
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -205.901591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.901591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.901591 (E_RNA)
where:
Base-Base interactions energy: -98.826
where: short stacking energy: -62.876
Base-Backbone interact. energy: -1.471
local terms energy: -105.604445
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -148.124498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.124498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.124498 (E_RNA)
where:
Base-Base interactions energy: -59.161
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.269
local terms energy: -88.694235
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -28.255
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -146.547358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.547358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.547358 (E_RNA)
where:
Base-Base interactions energy: -44.380
where: short stacking energy: -35.880
Base-Backbone interact. energy: -0.314
local terms energy: -101.853944
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: 2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -478.467018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.467018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.467018 (E_RNA)
where:
Base-Base interactions energy: -336.026
where: short stacking energy: -129.839
Base-Backbone interact. energy: -0.754
local terms energy: -141.687213
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -26.221
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -39.491
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -461.975176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.975176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.975176 (E_RNA)
where:
Base-Base interactions energy: -316.488
where: short stacking energy: -122.265
Base-Backbone interact. energy: -1.130
local terms energy: -144.356896
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -40.534
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: 86
Temperature: 1.000000
Total energy: -428.341006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.341006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.341006 (E_RNA)
where:
Base-Base interactions energy: -284.946
where: short stacking energy: -127.881
Base-Backbone interact. energy: -0.551
local terms energy: -142.844005
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -37.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -398.119119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.119119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.119119 (E_RNA)
where:
Base-Base interactions energy: -261.639
where: short stacking energy: -120.182
Base-Backbone interact. energy: -0.612
local terms energy: -135.867326
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -33.508
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -32.946
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: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -290.727461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.727461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.727461 (E_RNA)
where:
Base-Base interactions energy: -195.698
where: short stacking energy: -79.910
Base-Backbone interact. energy: -0.066
local terms energy: -94.963332
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -278.270969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.270969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.270969 (E_RNA)
where:
Base-Base interactions energy: -160.264
where: short stacking energy: -71.638
Base-Backbone interact. energy: -1.221
local terms energy: -116.785370
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -30.831
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -234.680530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.680530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.680530 (E_RNA)
where:
Base-Base interactions energy: -118.810
where: short stacking energy: -82.232
Base-Backbone interact. energy: -0.051
local terms energy: -115.819132
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -16.621
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: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -190.089892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.089892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.089892 (E_RNA)
where:
Base-Base interactions energy: -96.819
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.113
local terms energy: -93.157695
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -153.954542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.954542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.954542 (E_RNA)
where:
Base-Base interactions energy: -63.308
where: short stacking energy: -56.727
Base-Backbone interact. energy: 0.138
local terms energy: -90.785255
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: 2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -128.274522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.274522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.274522 (E_RNA)
where:
Base-Base interactions energy: -56.549
where: short stacking energy: -45.458
Base-Backbone interact. energy: -1.042
local terms energy: -70.683967
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -484.433052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.433052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.433052 (E_RNA)
where:
Base-Base interactions energy: -330.303
where: short stacking energy: -130.571
Base-Backbone interact. energy: -0.098
local terms energy: -154.032668
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -45.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -456.628747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.628747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.628747 (E_RNA)
where:
Base-Base interactions energy: -310.382
where: short stacking energy: -117.994
Base-Backbone interact. energy: -1.394
local terms energy: -144.852266
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -406.216597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.216597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.216597 (E_RNA)
where:
Base-Base interactions energy: -267.867
where: short stacking energy: -121.947
Base-Backbone interact. energy: -0.123
local terms energy: -138.227078
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -30.870
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: -31.881
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: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -409.758618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.758618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.758618 (E_RNA)
where:
Base-Base interactions energy: -270.156
where: short stacking energy: -135.558
Base-Backbone interact. energy: -0.590
local terms energy: -139.012742
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -37.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -299.439003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.439003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.439003 (E_RNA)
where:
Base-Base interactions energy: -172.743
where: short stacking energy: -81.090
Base-Backbone interact. energy: -0.491
local terms energy: -126.204395
where:
bonds (distance) C4'-P energy: -26.376
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -265.340701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.340701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.340701 (E_RNA)
where:
Base-Base interactions energy: -149.755
where: short stacking energy: -89.601
Base-Backbone interact. energy: -0.088
local terms energy: -115.498125
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -259.881066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.881066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.881066 (E_RNA)
where:
Base-Base interactions energy: -168.744
where: short stacking energy: -73.306
Base-Backbone interact. energy: -1.008
local terms energy: -90.129752
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -13.855
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: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -166.502952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.502952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.502952 (E_RNA)
where:
Base-Base interactions energy: -61.013
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.008
local terms energy: -105.481498
where:
bonds (distance) C4'-P energy: -31.818
bonds (distance) P-C4' energy: -32.900
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -184.883131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.883131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.883131 (E_RNA)
where:
Base-Base interactions energy: -85.614
where: short stacking energy: -52.610
Base-Backbone interact. energy: -0.209
local terms energy: -99.059699
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -134.688081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.688081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.688081 (E_RNA)
where:
Base-Base interactions energy: -53.577
where: short stacking energy: -47.066
Base-Backbone interact. energy: 1.022
local terms energy: -82.133117
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: 4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -471.256372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.256372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.256372 (E_RNA)
where:
Base-Base interactions energy: -313.458
where: short stacking energy: -137.193
Base-Backbone interact. energy: -0.669
local terms energy: -157.130167
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -29.561
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -43.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -458.095794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.095794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.095794 (E_RNA)
where:
Base-Base interactions energy: -314.256
where: short stacking energy: -129.791
Base-Backbone interact. energy: 2.375
local terms energy: -146.214267
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -37.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -426.027176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.027176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.027176 (E_RNA)
where:
Base-Base interactions energy: -271.021
where: short stacking energy: -132.669
Base-Backbone interact. energy: -0.279
local terms energy: -154.727188
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -39.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -425.754106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.754106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.754106 (E_RNA)
where:
Base-Base interactions energy: -282.892
where: short stacking energy: -123.740
Base-Backbone interact. energy: -1.231
local terms energy: -141.631152
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -38.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -294.546310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.546310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.546310 (E_RNA)
where:
Base-Base interactions energy: -188.637
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.884
local terms energy: -105.025492
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -233.390404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.390404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.390404 (E_RNA)
where:
Base-Base interactions energy: -133.345
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.094
local terms energy: -99.951979
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -156.252572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.252572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.252572 (E_RNA)
where:
Base-Base interactions energy: -58.235
where: short stacking energy: -56.693
Base-Backbone interact. energy: 0.462
local terms energy: -98.480366
where:
bonds (distance) C4'-P energy: -26.851
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -237.875695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.875695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.875695 (E_RNA)
where:
Base-Base interactions energy: -135.253
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.526
local terms energy: -102.097165
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -151.757722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.757722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.757722 (E_RNA)
where:
Base-Base interactions energy: -55.468
where: short stacking energy: -43.920
Base-Backbone interact. energy: -0.665
local terms energy: -95.625258
where:
bonds (distance) C4'-P energy: -28.883
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: 1.001
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -126.849393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.849393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.849393 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -40.149
Base-Backbone interact. energy: -0.307
local terms energy: -85.534854
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -484.255438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.255438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.255438 (E_RNA)
where:
Base-Base interactions energy: -331.756
where: short stacking energy: -149.180
Base-Backbone interact. energy: -0.089
local terms energy: -152.410141
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -20.875
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: 89
Temperature: 0.950000
Total energy: -466.677404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.677404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.677404 (E_RNA)
where:
Base-Base interactions energy: -308.872
where: short stacking energy: -148.065
Base-Backbone interact. energy: -1.796
local terms energy: -156.008901
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -45.670
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: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -412.370604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.370604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.370604 (E_RNA)
where:
Base-Base interactions energy: -278.127
where: short stacking energy: -131.258
Base-Backbone interact. energy: -0.328
local terms energy: -133.915500
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -430.081072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.081072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.081072 (E_RNA)
where:
Base-Base interactions energy: -290.811
where: short stacking energy: -124.726
Base-Backbone interact. energy: -1.045
local terms energy: -138.225390
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -31.847
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: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -301.627866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.627866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.627866 (E_RNA)
where:
Base-Base interactions energy: -186.243
where: short stacking energy: -78.097
Base-Backbone interact. energy: 0.796
local terms energy: -116.180416
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -17.398
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: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -243.466227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.466227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.466227 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.961
local terms energy: -105.292573
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -157.666537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.666537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.666537 (E_RNA)
where:
Base-Base interactions energy: -58.178
where: short stacking energy: -54.087
Base-Backbone interact. energy: -0.082
local terms energy: -99.406505
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -241.873791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.873791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.873791 (E_RNA)
where:
Base-Base interactions energy: -136.996
where: short stacking energy: -64.851
Base-Backbone interact. energy: 0.070
local terms energy: -104.948149
where:
bonds (distance) C4'-P energy: -29.360
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -158.118617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.118617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.118617 (E_RNA)
where:
Base-Base interactions energy: -59.910
where: short stacking energy: -53.696
Base-Backbone interact. energy: -1.413
local terms energy: -96.796096
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -25.164
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -133.366531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.366531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.366531 (E_RNA)
where:
Base-Base interactions energy: -47.416
where: short stacking energy: -46.310
Base-Backbone interact. energy: 0.335
local terms energy: -86.286070
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -471.454388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.454388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.454388 (E_RNA)
where:
Base-Base interactions energy: -317.971
where: short stacking energy: -133.056
Base-Backbone interact. energy: -0.058
local terms energy: -153.424690
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -42.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -471.874906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.874906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.874906 (E_RNA)
where:
Base-Base interactions energy: -322.622
where: short stacking energy: -130.010
Base-Backbone interact. energy: -1.795
local terms energy: -147.458204
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -32.020
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -37.050
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: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -448.068826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.068826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.068826 (E_RNA)
where:
Base-Base interactions energy: -301.304
where: short stacking energy: -129.650
Base-Backbone interact. energy: -0.233
local terms energy: -146.532140
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -26.573
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -37.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -407.882110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.882110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.882110 (E_RNA)
where:
Base-Base interactions energy: -263.178
where: short stacking energy: -135.402
Base-Backbone interact. energy: -0.173
local terms energy: -144.531072
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -34.909
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: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -342.806725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.806725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.806725 (E_RNA)
where:
Base-Base interactions energy: -219.364
where: short stacking energy: -101.055
Base-Backbone interact. energy: -0.038
local terms energy: -123.404790
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -236.189044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.189044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.189044 (E_RNA)
where:
Base-Base interactions energy: -131.587
where: short stacking energy: -76.896
Base-Backbone interact. energy: 0.429
local terms energy: -105.031575
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -287.610273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.610273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.610273 (E_RNA)
where:
Base-Base interactions energy: -164.383
where: short stacking energy: -85.741
Base-Backbone interact. energy: -2.313
local terms energy: -120.914259
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -23.572
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -154.541893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.541893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.541893 (E_RNA)
where:
Base-Base interactions energy: -44.529
where: short stacking energy: -34.460
Base-Backbone interact. energy: -1.071
local terms energy: -108.942051
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -133.888570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.888570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.888570 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -42.201
Base-Backbone interact. energy: -0.392
local terms energy: -90.514296
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -143.362629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.362629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.362629 (E_RNA)
where:
Base-Base interactions energy: -57.731
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.446
local terms energy: -85.184923
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -489.885672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.885672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.885672 (E_RNA)
where:
Base-Base interactions energy: -328.119
where: short stacking energy: -143.338
Base-Backbone interact. energy: 3.048
local terms energy: -164.814692
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -47.261
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: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -477.937691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.937691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.937691 (E_RNA)
where:
Base-Base interactions energy: -330.545
where: short stacking energy: -134.671
Base-Backbone interact. energy: -1.599
local terms energy: -145.793342
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -43.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -427.601575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.601575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.601575 (E_RNA)
where:
Base-Base interactions energy: -278.814
where: short stacking energy: -133.131
Base-Backbone interact. energy: -0.247
local terms energy: -148.539939
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -42.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -421.735923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.735923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.735923 (E_RNA)
where:
Base-Base interactions energy: -268.901
where: short stacking energy: -145.003
Base-Backbone interact. energy: -0.141
local terms energy: -152.694328
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -32.588
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -42.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -305.099622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.099622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.099622 (E_RNA)
where:
Base-Base interactions energy: -175.940
where: short stacking energy: -95.553
Base-Backbone interact. energy: -0.122
local terms energy: -129.037862
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -324.987121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.987121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.987121 (E_RNA)
where:
Base-Base interactions energy: -212.306
where: short stacking energy: -87.221
Base-Backbone interact. energy: -0.739
local terms energy: -111.942183
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -224.677001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.677001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.677001 (E_RNA)
where:
Base-Base interactions energy: -116.208
where: short stacking energy: -74.358
Base-Backbone interact. energy: -0.179
local terms energy: -108.290714
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -14.445
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: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -156.463154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.463154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.463154 (E_RNA)
where:
Base-Base interactions energy: -56.913
where: short stacking energy: -55.926
Base-Backbone interact. energy: 1.114
local terms energy: -100.663998
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -5.362
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: 91
Temperature: 1.300000
Total energy: -141.676924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.676924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.676924 (E_RNA)
where:
Base-Base interactions energy: -58.968
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.923
local terms energy: -81.785852
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -139.104765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.104765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.104765 (E_RNA)
where:
Base-Base interactions energy: -58.243
where: short stacking energy: -44.577
Base-Backbone interact. energy: 0.245
local terms energy: -81.107271
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -478.022757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.022757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.022757 (E_RNA)
where:
Base-Base interactions energy: -318.148
where: short stacking energy: -138.475
Base-Backbone interact. energy: -0.485
local terms energy: -159.389517
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -45.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -465.957466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.957466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.957466 (E_RNA)
where:
Base-Base interactions energy: -321.889
where: short stacking energy: -140.479
Base-Backbone interact. energy: -0.612
local terms energy: -143.457086
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -28.566
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -41.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -422.672322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.672322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.672322 (E_RNA)
where:
Base-Base interactions energy: -277.765
where: short stacking energy: -132.750
Base-Backbone interact. energy: -0.804
local terms energy: -144.103396
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -33.258
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -37.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -402.931106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.931106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.931106 (E_RNA)
where:
Base-Base interactions energy: -262.885
where: short stacking energy: -120.591
Base-Backbone interact. energy: 2.473
local terms energy: -142.518454
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -38.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -418.673114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.673114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.673114 (E_RNA)
where:
Base-Base interactions energy: -289.455
where: short stacking energy: -136.247
Base-Backbone interact. energy: 0.235
local terms energy: -129.453285
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -37.055
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -301.789739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.789739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.789739 (E_RNA)
where:
Base-Base interactions energy: -181.216
where: short stacking energy: -89.025
Base-Backbone interact. energy: -0.333
local terms energy: -120.240139
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -149.913122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.913122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.913122 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -55.491
Base-Backbone interact. energy: -0.409
local terms energy: -91.413894
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -214.760554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.760554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.760554 (E_RNA)
where:
Base-Base interactions energy: -116.955
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.429
local terms energy: -97.376945
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -11.862
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: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -151.598221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.598221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.598221 (E_RNA)
where:
Base-Base interactions energy: -59.559
where: short stacking energy: -43.631
Base-Backbone interact. energy: 2.132
local terms energy: -94.171715
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -137.713131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.713131 (E_RNA)
where:
Base-Base interactions energy: -54.855
where: short stacking energy: -35.281
Base-Backbone interact. energy: 0.132
local terms energy: -82.990721
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -468.876868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.876868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.876868 (E_RNA)
where:
Base-Base interactions energy: -311.762
where: short stacking energy: -128.007
Base-Backbone interact. energy: -0.038
local terms energy: -157.076555
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -43.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -482.555830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.555830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.555830 (E_RNA)
where:
Base-Base interactions energy: -337.667
where: short stacking energy: -128.632
Base-Backbone interact. energy: -0.055
local terms energy: -144.833389
where:
bonds (distance) C4'-P energy: -27.992
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -37.757
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: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -423.338293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.338293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.338293 (E_RNA)
where:
Base-Base interactions energy: -270.689
where: short stacking energy: -136.204
Base-Backbone interact. energy: 0.023
local terms energy: -152.672546
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -32.660
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -41.253
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -414.364948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.364948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.364948 (E_RNA)
where:
Base-Base interactions energy: -280.245
where: short stacking energy: -120.571
Base-Backbone interact. energy: -0.077
local terms energy: -134.042722
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -34.928
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: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -428.364658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.364658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.364658 (E_RNA)
where:
Base-Base interactions energy: -289.778
where: short stacking energy: -119.883
Base-Backbone interact. energy: 0.393
local terms energy: -138.979281
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -36.483
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: 93
Temperature: 1.150000
Total energy: -312.685205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.685205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.685205 (E_RNA)
where:
Base-Base interactions energy: -210.797
where: short stacking energy: -104.792
Base-Backbone interact. energy: -0.188
local terms energy: -101.700280
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -198.334973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.334973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.334973 (E_RNA)
where:
Base-Base interactions energy: -104.224
where: short stacking energy: -57.848
Base-Backbone interact. energy: 0.367
local terms energy: -94.477938
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -207.607576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.607576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607576 (E_RNA)
where:
Base-Base interactions energy: -117.527
where: short stacking energy: -67.000
Base-Backbone interact. energy: -0.318
local terms energy: -89.762401
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -156.210994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.210994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.210994 (E_RNA)
where:
Base-Base interactions energy: -54.206
where: short stacking energy: -32.360
Base-Backbone interact. energy: -1.381
local terms energy: -100.623477
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -2.875
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: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -142.434455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.434455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.434455 (E_RNA)
where:
Base-Base interactions energy: -52.738
where: short stacking energy: -49.479
Base-Backbone interact. energy: -0.469
local terms energy: -89.227801
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -3.945
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -472.269922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.269922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.269922 (E_RNA)
where:
Base-Base interactions energy: -314.829
where: short stacking energy: -127.563
Base-Backbone interact. energy: -0.803
local terms energy: -156.638580
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -36.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -474.103288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.103288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.103288 (E_RNA)
where:
Base-Base interactions energy: -326.174
where: short stacking energy: -134.294
Base-Backbone interact. energy: -0.728
local terms energy: -147.201579
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -449.090794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.090794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.090794 (E_RNA)
where:
Base-Base interactions energy: -304.651
where: short stacking energy: -119.388
Base-Backbone interact. energy: -0.011
local terms energy: -144.428356
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -33.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -404.295791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.295791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.295791 (E_RNA)
where:
Base-Base interactions energy: -258.363
where: short stacking energy: -126.341
Base-Backbone interact. energy: 1.034
local terms energy: -146.967151
where:
bonds (distance) C4'-P energy: -25.028
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -41.286
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: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -301.818944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.818944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.818944 (E_RNA)
where:
Base-Base interactions energy: -177.216
where: short stacking energy: -93.301
Base-Backbone interact. energy: -0.707
local terms energy: -123.895534
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -389.000285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.000285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.000285 (E_RNA)
where:
Base-Base interactions energy: -259.307
where: short stacking energy: -119.761
Base-Backbone interact. energy: -1.151
local terms energy: -128.541804
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -218.996623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.996623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.996623 (E_RNA)
where:
Base-Base interactions energy: -112.303
where: short stacking energy: -73.810
Base-Backbone interact. energy: -0.281
local terms energy: -106.413231
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -159.460185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.460185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.460185 (E_RNA)
where:
Base-Base interactions energy: -60.264
where: short stacking energy: -41.023
Base-Backbone interact. energy: -1.717
local terms energy: -97.479848
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: 2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -140.967101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.967101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.967101 (E_RNA)
where:
Base-Base interactions energy: -46.238
where: short stacking energy: -32.318
Base-Backbone interact. energy: -0.178
local terms energy: -94.550981
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: 1.684
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: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -149.674402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.674402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.674402 (E_RNA)
where:
Base-Base interactions energy: -51.836
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.376
local terms energy: -97.462918
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -1.924
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: 95
Temperature: 0.900000
Total energy: -466.280539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.280539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.280539 (E_RNA)
where:
Base-Base interactions energy: -319.432
where: short stacking energy: -136.157
Base-Backbone interact. energy: -0.968
local terms energy: -145.880455
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -33.657
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: 95
Temperature: 0.950000
Total energy: -437.560695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.560695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.560695 (E_RNA)
where:
Base-Base interactions energy: -306.510
where: short stacking energy: -134.265
Base-Backbone interact. energy: -1.182
local terms energy: -129.868145
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -29.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -431.194758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.194758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.194758 (E_RNA)
where:
Base-Base interactions energy: -294.553
where: short stacking energy: -132.126
Base-Backbone interact. energy: -0.878
local terms energy: -135.763814
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -38.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -387.250896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.250896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.250896 (E_RNA)
where:
Base-Base interactions energy: -248.690
where: short stacking energy: -118.938
Base-Backbone interact. energy: -0.533
local terms energy: -138.028122
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -20.441
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -273.956342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.956342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.956342 (E_RNA)
where:
Base-Base interactions energy: -161.295
where: short stacking energy: -85.092
Base-Backbone interact. energy: -0.865
local terms energy: -111.796747
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -388.916376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.916376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.916376 (E_RNA)
where:
Base-Base interactions energy: -256.511
where: short stacking energy: -117.182
Base-Backbone interact. energy: -0.755
local terms energy: -131.650306
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -35.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -235.749099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.749099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.749099 (E_RNA)
where:
Base-Base interactions energy: -130.821
where: short stacking energy: -55.615
Base-Backbone interact. energy: -1.003
local terms energy: -103.924625
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -10.536
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: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -180.412941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.412941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.412941 (E_RNA)
where:
Base-Base interactions energy: -86.644
where: short stacking energy: -50.626
Base-Backbone interact. energy: -0.840
local terms energy: -92.928341
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: 1.542
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -152.047699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.047699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.047699 (E_RNA)
where:
Base-Base interactions energy: -72.218
where: short stacking energy: -45.083
Base-Backbone interact. energy: 2.124
local terms energy: -81.953846
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: 4.394
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -123.624570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.624570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.624570 (E_RNA)
where:
Base-Base interactions energy: -41.510
where: short stacking energy: -35.355
Base-Backbone interact. energy: -0.111
local terms energy: -82.003442
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: 4.424
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: 96
Temperature: 0.900000
Total energy: -481.800899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.800899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.800899 (E_RNA)
where:
Base-Base interactions energy: -332.959
where: short stacking energy: -141.808
Base-Backbone interact. energy: -0.596
local terms energy: -148.245867
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -33.383
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -37.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -462.185978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.185978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.185978 (E_RNA)
where:
Base-Base interactions energy: -318.584
where: short stacking energy: -143.266
Base-Backbone interact. energy: -2.374
local terms energy: -141.228154
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -449.629299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.629299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.629299 (E_RNA)
where:
Base-Base interactions energy: -305.906
where: short stacking energy: -119.543
Base-Backbone interact. energy: -0.818
local terms energy: -142.904835
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -39.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -368.382169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.382169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.382169 (E_RNA)
where:
Base-Base interactions energy: -250.392
where: short stacking energy: -104.089
Base-Backbone interact. energy: -0.957
local terms energy: -117.033073
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -377.698984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.698984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.698984 (E_RNA)
where:
Base-Base interactions energy: -253.268
where: short stacking energy: -113.203
Base-Backbone interact. energy: -0.176
local terms energy: -124.254818
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -31.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -296.433563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.433563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.433563 (E_RNA)
where:
Base-Base interactions energy: -183.256
where: short stacking energy: -94.164
Base-Backbone interact. energy: -0.716
local terms energy: -112.460904
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -18.783
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: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -209.968634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.968634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.968634 (E_RNA)
where:
Base-Base interactions energy: -107.249
where: short stacking energy: -62.929
Base-Backbone interact. energy: -1.488
local terms energy: -101.231386
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -214.211241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.211241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.211241 (E_RNA)
where:
Base-Base interactions energy: -112.964
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.171
local terms energy: -101.076146
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -7.294
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: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -156.339333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.339333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.339333 (E_RNA)
where:
Base-Base interactions energy: -58.870
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.331
local terms energy: -97.138427
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -21.335
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -132.958357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.958357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.958357 (E_RNA)
where:
Base-Base interactions energy: -44.956
where: short stacking energy: -39.678
Base-Backbone interact. energy: -0.832
local terms energy: -87.170531
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -3.813
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: 97
Temperature: 0.900000
Total energy: -481.717781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.717781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.717781 (E_RNA)
where:
Base-Base interactions energy: -328.890
where: short stacking energy: -133.485
Base-Backbone interact. energy: -0.763
local terms energy: -152.065015
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -30.163
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -37.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -467.934953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.934953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.934953 (E_RNA)
where:
Base-Base interactions energy: -319.676
where: short stacking energy: -129.249
Base-Backbone interact. energy: -1.850
local terms energy: -146.409216
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -32.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -455.255443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.255443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.255443 (E_RNA)
where:
Base-Base interactions energy: -310.838
where: short stacking energy: -132.942
Base-Backbone interact. energy: 0.616
local terms energy: -145.033882
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -41.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -397.644591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.644591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.644591 (E_RNA)
where:
Base-Base interactions energy: -259.637
where: short stacking energy: -109.136
Base-Backbone interact. energy: -0.555
local terms energy: -137.452708
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -32.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -362.434688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.434688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.434688 (E_RNA)
where:
Base-Base interactions energy: -231.318
where: short stacking energy: -104.489
Base-Backbone interact. energy: -0.604
local terms energy: -130.512608
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -29.735
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: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -321.383591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.383591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.383591 (E_RNA)
where:
Base-Base interactions energy: -196.449
where: short stacking energy: -94.916
Base-Backbone interact. energy: -0.771
local terms energy: -124.164039
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -29.496
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -24.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -256.104276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.104276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.104276 (E_RNA)
where:
Base-Base interactions energy: -153.729
where: short stacking energy: -77.380
Base-Backbone interact. energy: 0.172
local terms energy: -102.546585
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -13.446
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: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -192.936147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936147 (E_RNA)
where:
Base-Base interactions energy: -98.817
where: short stacking energy: -49.856
Base-Backbone interact. energy: -1.142
local terms energy: -92.976964
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -175.900637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.900637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.900637 (E_RNA)
where:
Base-Base interactions energy: -85.392
where: short stacking energy: -45.557
Base-Backbone interact. energy: -1.099
local terms energy: -89.409519
where:
bonds (distance) C4'-P energy: -28.460
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -1.288
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: 97
Temperature: 1.350000
Total energy: -165.005397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.005397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.005397 (E_RNA)
where:
Base-Base interactions energy: -78.101
where: short stacking energy: -40.253
Base-Backbone interact. energy: 0.322
local terms energy: -87.226275
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: 3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -483.616128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.616128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.616128 (E_RNA)
where:
Base-Base interactions energy: -343.931
where: short stacking energy: -143.720
Base-Backbone interact. energy: -0.752
local terms energy: -138.932909
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -39.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -452.589040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.589040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.589040 (E_RNA)
where:
Base-Base interactions energy: -310.427
where: short stacking energy: -136.083
Base-Backbone interact. energy: -0.318
local terms energy: -141.844006
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -34.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -400.035160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.035160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.035160 (E_RNA)
where:
Base-Base interactions energy: -257.527
where: short stacking energy: -107.190
Base-Backbone interact. energy: -0.176
local terms energy: -142.331764
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -20.222
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: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -437.472894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.472894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.472894 (E_RNA)
where:
Base-Base interactions energy: -295.978
where: short stacking energy: -130.677
Base-Backbone interact. energy: -0.901
local terms energy: -140.593734
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -20.562
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: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -352.450624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.450624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.450624 (E_RNA)
where:
Base-Base interactions energy: -213.230
where: short stacking energy: -106.985
Base-Backbone interact. energy: -0.461
local terms energy: -138.759936
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -30.498
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: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -266.185366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.185366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.185366 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.556
local terms energy: -114.748737
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -238.772476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.772476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.772476 (E_RNA)
where:
Base-Base interactions energy: -133.100
where: short stacking energy: -72.014
Base-Backbone interact. energy: -0.505
local terms energy: -105.167785
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -173.928576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.928576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.928576 (E_RNA)
where:
Base-Base interactions energy: -72.252
where: short stacking energy: -46.609
Base-Backbone interact. energy: -0.389
local terms energy: -101.287216
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -34.121
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -197.147034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.147034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147034 (E_RNA)
where:
Base-Base interactions energy: -109.994
where: short stacking energy: -59.112
Base-Backbone interact. energy: -1.035
local terms energy: -86.118246
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -135.764296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.764296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.764296 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -28.052
Base-Backbone interact. energy: -1.453
local terms energy: -84.133100
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -478.178501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.178501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.178501 (E_RNA)
where:
Base-Base interactions energy: -331.445
where: short stacking energy: -136.739
Base-Backbone interact. energy: 0.758
local terms energy: -147.491926
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -18.105
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: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -451.080881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.080881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.080881 (E_RNA)
where:
Base-Base interactions energy: -301.972
where: short stacking energy: -119.153
Base-Backbone interact. energy: 1.791
local terms energy: -150.900554
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -36.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -391.342634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.342634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.342634 (E_RNA)
where:
Base-Base interactions energy: -268.540
where: short stacking energy: -120.448
Base-Backbone interact. energy: 0.523
local terms energy: -123.326580
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -30.197
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: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -402.329061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.329061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.329061 (E_RNA)
where:
Base-Base interactions energy: -262.666
where: short stacking energy: -118.207
Base-Backbone interact. energy: -0.905
local terms energy: -138.757232
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -38.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -391.168335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.168335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.168335 (E_RNA)
where:
Base-Base interactions energy: -261.164
where: short stacking energy: -104.788
Base-Backbone interact. energy: -0.925
local terms energy: -129.079255
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -273.489430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.489430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.489430 (E_RNA)
where:
Base-Base interactions energy: -176.777
where: short stacking energy: -79.569
Base-Backbone interact. energy: 0.204
local terms energy: -96.916171
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -7.473
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: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -225.853321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.853321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.853321 (E_RNA)
where:
Base-Base interactions energy: -123.476
where: short stacking energy: -75.775
Base-Backbone interact. energy: -0.761
local terms energy: -101.616978
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -12.893
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: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -199.134982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134982 (E_RNA)
where:
Base-Base interactions energy: -123.402
where: short stacking energy: -43.595
Base-Backbone interact. energy: 0.105
local terms energy: -75.838356
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: 2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -139.743083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.743083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.743083 (E_RNA)
where:
Base-Base interactions energy: -47.974
where: short stacking energy: -47.974
Base-Backbone interact. energy: 0.157
local terms energy: -91.927000
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -152.328922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.328922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.328922 (E_RNA)
where:
Base-Base interactions energy: -60.148
where: short stacking energy: -49.885
Base-Backbone interact. energy: -0.329
local terms energy: -91.852172
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -482.152801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.152801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.152801 (E_RNA)
where:
Base-Base interactions energy: -328.152
where: short stacking energy: -126.912
Base-Backbone interact. energy: -0.527
local terms energy: -153.474093
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -34.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -470.348007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.348007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.348007 (E_RNA)
where:
Base-Base interactions energy: -326.121
where: short stacking energy: -139.827
Base-Backbone interact. energy: 0.716
local terms energy: -144.943901
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -38.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -436.834200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.834200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.834200 (E_RNA)
where:
Base-Base interactions energy: -298.231
where: short stacking energy: -121.674
Base-Backbone interact. energy: -0.405
local terms energy: -138.198454
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -37.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -390.396782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.396782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.396782 (E_RNA)
where:
Base-Base interactions energy: -250.117
where: short stacking energy: -109.363
Base-Backbone interact. energy: 0.423
local terms energy: -140.703144
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -29.872
flat angles P-C4'-P energy: -19.894
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: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -403.610577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.610577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.610577 (E_RNA)
where:
Base-Base interactions energy: -254.077
where: short stacking energy: -109.444
Base-Backbone interact. energy: -0.120
local terms energy: -149.413392
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -36.568
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -32.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -278.127704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.127704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.127704 (E_RNA)
where:
Base-Base interactions energy: -175.275
where: short stacking energy: -81.113
Base-Backbone interact. energy: -0.169
local terms energy: -102.683474
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.215
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: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -241.800560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.800560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.800560 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -77.092
Base-Backbone interact. energy: -1.273
local terms energy: -104.922850
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -152.129274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.129274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.129274 (E_RNA)
where:
Base-Base interactions energy: -58.437
where: short stacking energy: -50.342
Base-Backbone interact. energy: -1.161
local terms energy: -92.530642
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -157.110355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.110355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.110355 (E_RNA)
where:
Base-Base interactions energy: -60.800
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.600
local terms energy: -95.710424
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -131.841994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.841994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.841994 (E_RNA)
where:
Base-Base interactions energy: -47.004
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.945
local terms energy: -83.892445
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -471.982777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.982777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.982777 (E_RNA)
where:
Base-Base interactions energy: -320.753
where: short stacking energy: -134.392
Base-Backbone interact. energy: 0.289
local terms energy: -151.518461
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -40.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -461.918098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.918098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.918098 (E_RNA)
where:
Base-Base interactions energy: -321.759
where: short stacking energy: -137.003
Base-Backbone interact. energy: -0.916
local terms energy: -139.244024
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -21.689
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: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -451.090068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.090068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.090068 (E_RNA)
where:
Base-Base interactions energy: -308.158
where: short stacking energy: -135.105
Base-Backbone interact. energy: -0.609
local terms energy: -142.323152
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -24.667
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: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -373.695764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.695764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.695764 (E_RNA)
where:
Base-Base interactions energy: -226.031
where: short stacking energy: -121.983
Base-Backbone interact. energy: 0.204
local terms energy: -147.868753
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -32.690
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: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -369.218630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.218630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.218630 (E_RNA)
where:
Base-Base interactions energy: -255.641
where: short stacking energy: -110.410
Base-Backbone interact. energy: 0.111
local terms energy: -113.688135
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -21.505
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: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -272.821841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.821841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.821841 (E_RNA)
where:
Base-Base interactions energy: -149.056
where: short stacking energy: -80.681
Base-Backbone interact. energy: -0.891
local terms energy: -122.874689
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -245.926841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.926841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.926841 (E_RNA)
where:
Base-Base interactions energy: -133.320
where: short stacking energy: -80.904
Base-Backbone interact. energy: -1.108
local terms energy: -111.499181
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -30.350
flat angles P-C4'-P energy: -25.081
tors. eta vs tors. theta energy: -14.404
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -155.277236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.277236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.277236 (E_RNA)
where:
Base-Base interactions energy: -56.746
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.997
local terms energy: -97.534204
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -163.333564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.333564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.333564 (E_RNA)
where:
Base-Base interactions energy: -83.162
where: short stacking energy: -48.834
Base-Backbone interact. energy: -0.449
local terms energy: -79.722026
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -143.080763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.080763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.080763 (E_RNA)
where:
Base-Base interactions energy: -50.457
where: short stacking energy: -49.153
Base-Backbone interact. energy: 0.455
local terms energy: -93.079113
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -6.781
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: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -469.865307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.865307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.865307 (E_RNA)
where:
Base-Base interactions energy: -313.776
where: short stacking energy: -143.199
Base-Backbone interact. energy: -0.313
local terms energy: -155.775928
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -42.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -473.482381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.482381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.482381 (E_RNA)
where:
Base-Base interactions energy: -330.591
where: short stacking energy: -141.735
Base-Backbone interact. energy: -0.590
local terms energy: -142.302158
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -40.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -376.985237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.985237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.985237 (E_RNA)
where:
Base-Base interactions energy: -232.944
where: short stacking energy: -124.678
Base-Backbone interact. energy: -0.053
local terms energy: -143.988495
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -38.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -442.328486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.328486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.328486 (E_RNA)
where:
Base-Base interactions energy: -318.641
where: short stacking energy: -124.528
Base-Backbone interact. energy: -0.629
local terms energy: -123.058658
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -35.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -354.071898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.071898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.071898 (E_RNA)
where:
Base-Base interactions energy: -236.310
where: short stacking energy: -95.406
Base-Backbone interact. energy: -0.269
local terms energy: -117.492746
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -254.540734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.540734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.540734 (E_RNA)
where:
Base-Base interactions energy: -145.329
where: short stacking energy: -69.014
Base-Backbone interact. energy: -0.439
local terms energy: -108.773025
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -19.437
tors. eta vs tors. theta energy: -9.718
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: 102
Temperature: 1.200000
Total energy: -254.656111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.656111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.656111 (E_RNA)
where:
Base-Base interactions energy: -139.544
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.465
local terms energy: -114.646581
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -31.681
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -151.098221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.098221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.098221 (E_RNA)
where:
Base-Base interactions energy: -60.559
where: short stacking energy: -46.047
Base-Backbone interact. energy: 2.920
local terms energy: -93.459386
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -150.166041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.166041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.166041 (E_RNA)
where:
Base-Base interactions energy: -66.950
where: short stacking energy: -50.065
Base-Backbone interact. energy: -1.186
local terms energy: -82.029463
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -127.488682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.488682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.488682 (E_RNA)
where:
Base-Base interactions energy: -37.772
where: short stacking energy: -29.069
Base-Backbone interact. energy: 1.832
local terms energy: -91.548483
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: 2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -457.401803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.401803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.401803 (E_RNA)
where:
Base-Base interactions energy: -313.511
where: short stacking energy: -127.971
Base-Backbone interact. energy: -0.332
local terms energy: -143.558232
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -19.410
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: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -492.023640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.023640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.023640 (E_RNA)
where:
Base-Base interactions energy: -335.010
where: short stacking energy: -152.926
Base-Backbone interact. energy: -0.562
local terms energy: -156.451667
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -43.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -376.976520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.976520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.976520 (E_RNA)
where:
Base-Base interactions energy: -234.257
where: short stacking energy: -116.727
Base-Backbone interact. energy: -0.710
local terms energy: -142.008957
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -33.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -452.270977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.270977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.270977 (E_RNA)
where:
Base-Base interactions energy: -299.798
where: short stacking energy: -128.488
Base-Backbone interact. energy: -0.326
local terms energy: -152.146567
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -43.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -340.797992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.797992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.797992 (E_RNA)
where:
Base-Base interactions energy: -227.997
where: short stacking energy: -86.077
Base-Backbone interact. energy: -1.179
local terms energy: -111.621916
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -301.138699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.138699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.138699 (E_RNA)
where:
Base-Base interactions energy: -174.735
where: short stacking energy: -95.272
Base-Backbone interact. energy: -0.304
local terms energy: -126.100181
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -16.047
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -244.934633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.934633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.934633 (E_RNA)
where:
Base-Base interactions energy: -138.780
where: short stacking energy: -69.279
Base-Backbone interact. energy: -0.283
local terms energy: -105.872243
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -32.191
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -152.978678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.978678 (E_RNA)
where:
Base-Base interactions energy: -60.559
where: short stacking energy: -50.399
Base-Backbone interact. energy: 0.567
local terms energy: -92.986371
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -169.939535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.939535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.939535 (E_RNA)
where:
Base-Base interactions energy: -87.641
where: short stacking energy: -43.223
Base-Backbone interact. energy: 0.085
local terms energy: -82.382789
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: 5.339
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: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -132.577665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.577665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.577665 (E_RNA)
where:
Base-Base interactions energy: -50.629
where: short stacking energy: -36.750
Base-Backbone interact. energy: -0.433
local terms energy: -81.515637
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -469.139182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.139182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.139182 (E_RNA)
where:
Base-Base interactions energy: -326.097
where: short stacking energy: -135.438
Base-Backbone interact. energy: -0.288
local terms energy: -142.754337
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -37.693
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -490.843099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.843099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.843099 (E_RNA)
where:
Base-Base interactions energy: -333.823
where: short stacking energy: -144.785
Base-Backbone interact. energy: -0.645
local terms energy: -156.374943
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -42.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -428.619940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.619940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.619940 (E_RNA)
where:
Base-Base interactions energy: -285.121
where: short stacking energy: -134.845
Base-Backbone interact. energy: -0.007
local terms energy: -143.491783
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -41.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -369.359748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.359748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.359748 (E_RNA)
where:
Base-Base interactions energy: -250.861
where: short stacking energy: -128.112
Base-Backbone interact. energy: -0.187
local terms energy: -118.311429
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -33.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -339.022433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.022433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.022433 (E_RNA)
where:
Base-Base interactions energy: -219.128
where: short stacking energy: -103.859
Base-Backbone interact. energy: 0.521
local terms energy: -120.415544
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -17.378
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -307.552492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.552492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.552492 (E_RNA)
where:
Base-Base interactions energy: -193.588
where: short stacking energy: -89.891
Base-Backbone interact. energy: -0.628
local terms energy: -113.336029
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -248.615741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.615741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.615741 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -72.317
Base-Backbone interact. energy: 0.196
local terms energy: -102.075426
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -151.051752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.051752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.051752 (E_RNA)
where:
Base-Base interactions energy: -58.793
where: short stacking energy: -53.111
Base-Backbone interact. energy: -1.628
local terms energy: -90.630419
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -139.617451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.617451 (E_RNA)
where:
Base-Base interactions energy: -48.957
where: short stacking energy: -46.806
Base-Backbone interact. energy: -0.194
local terms energy: -90.466978
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -144.158869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.158869 (E_RNA)
where:
Base-Base interactions energy: -57.681
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.495
local terms energy: -85.982100
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -475.888033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.888033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.888033 (E_RNA)
where:
Base-Base interactions energy: -322.178
where: short stacking energy: -139.042
Base-Backbone interact. energy: 0.382
local terms energy: -154.091580
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -16.703
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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -489.981940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.981940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.981940 (E_RNA)
where:
Base-Base interactions energy: -332.120
where: short stacking energy: -154.576
Base-Backbone interact. energy: -1.045
local terms energy: -156.816728
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -42.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -454.599641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.599641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.599641 (E_RNA)
where:
Base-Base interactions energy: -297.518
where: short stacking energy: -139.934
Base-Backbone interact. energy: -0.672
local terms energy: -156.409451
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -346.833272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.833272 (E_RNA)
where:
Base-Base interactions energy: -206.409
where: short stacking energy: -98.229
Base-Backbone interact. energy: 0.642
local terms energy: -141.066334
where:
bonds (distance) C4'-P energy: -30.461
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -17.508
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: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -364.235879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.235879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.235879 (E_RNA)
where:
Base-Base interactions energy: -236.239
where: short stacking energy: -105.585
Base-Backbone interact. energy: 0.091
local terms energy: -128.088328
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -27.462
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: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -332.281574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.281574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.281574 (E_RNA)
where:
Base-Base interactions energy: -217.122
where: short stacking energy: -106.723
Base-Backbone interact. energy: -0.307
local terms energy: -114.852838
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -256.641143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.641143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.641143 (E_RNA)
where:
Base-Base interactions energy: -154.621
where: short stacking energy: -72.012
Base-Backbone interact. energy: -1.728
local terms energy: -100.292469
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -8.106
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: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -173.643686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.643686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.643686 (E_RNA)
where:
Base-Base interactions energy: -80.205
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.100
local terms energy: -93.339286
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -133.808137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.808137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.808137 (E_RNA)
where:
Base-Base interactions energy: -51.342
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.337
local terms energy: -82.128530
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -24.090
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: 3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -137.034654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.034654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.034654 (E_RNA)
where:
Base-Base interactions energy: -52.317
where: short stacking energy: -46.044
Base-Backbone interact. energy: 2.880
local terms energy: -87.597539
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -490.035317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.035317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.035317 (E_RNA)
where:
Base-Base interactions energy: -338.048
where: short stacking energy: -146.445
Base-Backbone interact. energy: -0.049
local terms energy: -151.938971
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -43.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -470.649659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.649659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.649659 (E_RNA)
where:
Base-Base interactions energy: -308.749
where: short stacking energy: -135.444
Base-Backbone interact. energy: -1.438
local terms energy: -160.463203
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -444.522019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.522019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.522019 (E_RNA)
where:
Base-Base interactions energy: -298.125
where: short stacking energy: -122.423
Base-Backbone interact. energy: -1.078
local terms energy: -145.318805
where:
bonds (distance) C4'-P energy: -25.776
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -30.049
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -40.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -353.333988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.333988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.333988 (E_RNA)
where:
Base-Base interactions energy: -213.595
where: short stacking energy: -120.067
Base-Backbone interact. energy: -0.468
local terms energy: -139.271174
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -349.264053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.264053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.264053 (E_RNA)
where:
Base-Base interactions energy: -223.284
where: short stacking energy: -99.077
Base-Backbone interact. energy: -0.588
local terms energy: -125.392179
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -337.556647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.556647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.556647 (E_RNA)
where:
Base-Base interactions energy: -220.931
where: short stacking energy: -102.111
Base-Backbone interact. energy: -0.099
local terms energy: -116.526178
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -26.303
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: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -241.591584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.591584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.591584 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -65.513
Base-Backbone interact. energy: 1.168
local terms energy: -89.000447
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -166.822954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.822954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.822954 (E_RNA)
where:
Base-Base interactions energy: -70.785
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.455
local terms energy: -95.582125
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -141.593509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.593509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.593509 (E_RNA)
where:
Base-Base interactions energy: -69.923
where: short stacking energy: -51.553
Base-Backbone interact. energy: 1.098
local terms energy: -72.769202
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: 1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -129.844737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.844737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.844737 (E_RNA)
where:
Base-Base interactions energy: -49.415
where: short stacking energy: -44.064
Base-Backbone interact. energy: -0.594
local terms energy: -79.835719
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: 2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -501.479212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.479212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.479212 (E_RNA)
where:
Base-Base interactions energy: -334.797
where: short stacking energy: -144.960
Base-Backbone interact. energy: -0.715
local terms energy: -165.967211
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -43.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -463.079976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.079976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.079976 (E_RNA)
where:
Base-Base interactions energy: -319.235
where: short stacking energy: -144.656
Base-Backbone interact. energy: -1.577
local terms energy: -142.268187
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -41.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -441.154497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.154497 (E_RNA)
where:
Base-Base interactions energy: -290.513
where: short stacking energy: -135.699
Base-Backbone interact. energy: -0.103
local terms energy: -150.538281
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -42.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -368.472061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.472061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.472061 (E_RNA)
where:
Base-Base interactions energy: -245.354
where: short stacking energy: -118.191
Base-Backbone interact. energy: 0.203
local terms energy: -123.321154
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -337.833868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.833868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.833868 (E_RNA)
where:
Base-Base interactions energy: -218.862
where: short stacking energy: -93.428
Base-Backbone interact. energy: -0.454
local terms energy: -118.517537
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -300.956051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.956051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.956051 (E_RNA)
where:
Base-Base interactions energy: -173.926
where: short stacking energy: -80.259
Base-Backbone interact. energy: -0.613
local terms energy: -126.417333
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -22.816
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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -249.663964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.663964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.663964 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -76.752
Base-Backbone interact. energy: 0.922
local terms energy: -106.327626
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -165.331410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331410 (E_RNA)
where:
Base-Base interactions energy: -69.919
where: short stacking energy: -48.816
Base-Backbone interact. energy: -0.530
local terms energy: -94.882447
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -173.924560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.924560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.924560 (E_RNA)
where:
Base-Base interactions energy: -81.554
where: short stacking energy: -56.113
Base-Backbone interact. energy: -1.822
local terms energy: -90.548079
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -147.924960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.924960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.924960 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -39.693
Base-Backbone interact. energy: 0.957
local terms energy: -101.785546
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -489.698841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.698841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.698841 (E_RNA)
where:
Base-Base interactions energy: -339.681
where: short stacking energy: -148.898
Base-Backbone interact. energy: -0.793
local terms energy: -149.224757
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -33.780
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -46.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -457.948275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.948275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.948275 (E_RNA)
where:
Base-Base interactions energy: -319.019
where: short stacking energy: -128.995
Base-Backbone interact. energy: -1.039
local terms energy: -137.890872
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -442.636459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.636459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.636459 (E_RNA)
where:
Base-Base interactions energy: -297.078
where: short stacking energy: -131.364
Base-Backbone interact. energy: -0.481
local terms energy: -145.077550
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -42.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -380.091759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.091759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.091759 (E_RNA)
where:
Base-Base interactions energy: -244.729
where: short stacking energy: -122.455
Base-Backbone interact. energy: -0.187
local terms energy: -135.176142
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -36.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -323.959051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.959051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.959051 (E_RNA)
where:
Base-Base interactions energy: -210.073
where: short stacking energy: -90.383
Base-Backbone interact. energy: -0.444
local terms energy: -113.442275
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -315.725088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.725088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.725088 (E_RNA)
where:
Base-Base interactions energy: -190.587
where: short stacking energy: -92.265
Base-Backbone interact. energy: 0.785
local terms energy: -125.923476
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -26.647
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: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -254.618545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.618545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.618545 (E_RNA)
where:
Base-Base interactions energy: -157.387
where: short stacking energy: -82.733
Base-Backbone interact. energy: -1.005
local terms energy: -96.226424
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -160.275696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.275696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.275696 (E_RNA)
where:
Base-Base interactions energy: -70.405
where: short stacking energy: -48.347
Base-Backbone interact. energy: -0.376
local terms energy: -89.494753
where:
bonds (distance) C4'-P energy: -24.006
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -140.917548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.917548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.917548 (E_RNA)
where:
Base-Base interactions energy: -51.867
where: short stacking energy: -41.258
Base-Backbone interact. energy: 0.191
local terms energy: -89.241133
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -131.121555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.121555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.121555 (E_RNA)
where:
Base-Base interactions energy: -49.000
where: short stacking energy: -48.168
Base-Backbone interact. energy: -1.766
local terms energy: -80.355268
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -481.702759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.702759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.702759 (E_RNA)
where:
Base-Base interactions energy: -329.258
where: short stacking energy: -145.181
Base-Backbone interact. energy: -0.359
local terms energy: -152.086487
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -36.267
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -44.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -462.016385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.016385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.016385 (E_RNA)
where:
Base-Base interactions energy: -311.644
where: short stacking energy: -123.038
Base-Backbone interact. energy: -1.089
local terms energy: -149.282595
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -43.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -453.216057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.216057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.216057 (E_RNA)
where:
Base-Base interactions energy: -319.981
where: short stacking energy: -131.166
Base-Backbone interact. energy: -0.973
local terms energy: -132.262708
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -37.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -320.853891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.853891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.853891 (E_RNA)
where:
Base-Base interactions energy: -185.135
where: short stacking energy: -98.998
Base-Backbone interact. energy: -0.775
local terms energy: -134.943999
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -19.747
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: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -353.482520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.482520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.482520 (E_RNA)
where:
Base-Base interactions energy: -221.320
where: short stacking energy: -112.879
Base-Backbone interact. energy: -0.765
local terms energy: -131.397658
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -31.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -305.830917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.830917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.830917 (E_RNA)
where:
Base-Base interactions energy: -188.315
where: short stacking energy: -92.298
Base-Backbone interact. energy: 0.477
local terms energy: -117.992389
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -28.487
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -258.802419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.802419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.802419 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -77.412
Base-Backbone interact. energy: 0.590
local terms energy: -118.855529
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -16.758
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: 109
Temperature: 1.250000
Total energy: -196.645963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.645963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.645963 (E_RNA)
where:
Base-Base interactions energy: -101.794
where: short stacking energy: -54.556
Base-Backbone interact. energy: 2.272
local terms energy: -97.124273
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -29.762
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -6.699
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: 109
Temperature: 1.300000
Total energy: -152.088503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.088503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.088503 (E_RNA)
where:
Base-Base interactions energy: -61.012
where: short stacking energy: -59.504
Base-Backbone interact. energy: 0.300
local terms energy: -91.376085
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -124.517229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.517229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.517229 (E_RNA)
where:
Base-Base interactions energy: -53.864
where: short stacking energy: -38.441
Base-Backbone interact. energy: -0.344
local terms energy: -70.309038
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: 3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -507.402952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.402952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.402952 (E_RNA)
where:
Base-Base interactions energy: -340.945
where: short stacking energy: -138.182
Base-Backbone interact. energy: -0.475
local terms energy: -165.982746
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -25.243
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: 110
Temperature: 0.950000
Total energy: -459.666581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.666581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.666581 (E_RNA)
where:
Base-Base interactions energy: -314.186
where: short stacking energy: -131.659
Base-Backbone interact. energy: -0.723
local terms energy: -144.757768
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -47.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -448.294353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.294353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.294353 (E_RNA)
where:
Base-Base interactions energy: -310.935
where: short stacking energy: -129.206
Base-Backbone interact. energy: -1.291
local terms energy: -136.068321
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -32.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -349.827824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.827824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.827824 (E_RNA)
where:
Base-Base interactions energy: -226.033
where: short stacking energy: -103.383
Base-Backbone interact. energy: -0.192
local terms energy: -123.602599
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -25.874
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: 110
Temperature: 1.100000
Total energy: -367.225947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.225947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.225947 (E_RNA)
where:
Base-Base interactions energy: -229.218
where: short stacking energy: -121.063
Base-Backbone interact. energy: -0.529
local terms energy: -137.479335
where:
bonds (distance) C4'-P energy: -23.024
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: -31.390
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: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -315.382888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.382888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.382888 (E_RNA)
where:
Base-Base interactions energy: -207.268
where: short stacking energy: -93.531
Base-Backbone interact. energy: -0.503
local terms energy: -107.611896
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -226.090602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.090602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.090602 (E_RNA)
where:
Base-Base interactions energy: -120.408
where: short stacking energy: -77.011
Base-Backbone interact. energy: -0.407
local terms energy: -105.275537
where:
bonds (distance) C4'-P energy: -26.435
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -172.439772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439772 (E_RNA)
where:
Base-Base interactions energy: -83.007
where: short stacking energy: -40.983
Base-Backbone interact. energy: 0.850
local terms energy: -90.283380
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -28.830
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: 0.410
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: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -142.362582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.362582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.362582 (E_RNA)
where:
Base-Base interactions energy: -44.440
where: short stacking energy: -43.921
Base-Backbone interact. energy: 0.334
local terms energy: -98.256500
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -132.746675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.746675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.746675 (E_RNA)
where:
Base-Base interactions energy: -51.093
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.150
local terms energy: -81.502814
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -492.663622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.663622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.663622 (E_RNA)
where:
Base-Base interactions energy: -335.906
where: short stacking energy: -143.040
Base-Backbone interact. energy: -1.327
local terms energy: -155.430816
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -18.951
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: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -471.042743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.042743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.042743 (E_RNA)
where:
Base-Base interactions energy: -316.211
where: short stacking energy: -133.501
Base-Backbone interact. energy: -1.321
local terms energy: -153.510711
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -45.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -438.591575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.591575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.591575 (E_RNA)
where:
Base-Base interactions energy: -301.109
where: short stacking energy: -126.994
Base-Backbone interact. energy: -0.113
local terms energy: -137.369813
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -18.167
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: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -373.956188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.956188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.956188 (E_RNA)
where:
Base-Base interactions energy: -233.082
where: short stacking energy: -121.342
Base-Backbone interact. energy: 0.750
local terms energy: -141.624599
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -326.009300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.009300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.009300 (E_RNA)
where:
Base-Base interactions energy: -214.370
where: short stacking energy: -102.531
Base-Backbone interact. energy: 0.094
local terms energy: -111.733309
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -314.670427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.670427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.670427 (E_RNA)
where:
Base-Base interactions energy: -195.042
where: short stacking energy: -97.031
Base-Backbone interact. energy: -0.215
local terms energy: -119.413693
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -28.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -237.540980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.540980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.540980 (E_RNA)
where:
Base-Base interactions energy: -134.319
where: short stacking energy: -72.850
Base-Backbone interact. energy: -0.183
local terms energy: -103.039464
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -27.911
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -166.975099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.975099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.975099 (E_RNA)
where:
Base-Base interactions energy: -63.340
where: short stacking energy: -54.841
Base-Backbone interact. energy: -0.664
local terms energy: -102.971864
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -135.556452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.556452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.556452 (E_RNA)
where:
Base-Base interactions energy: -49.880
where: short stacking energy: -42.098
Base-Backbone interact. energy: -1.039
local terms energy: -84.637443
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: 3.797
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: 111
Temperature: 1.350000
Total energy: -152.502072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.502072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.502072 (E_RNA)
where:
Base-Base interactions energy: -63.864
where: short stacking energy: -50.336
Base-Backbone interact. energy: -0.178
local terms energy: -88.460553
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -479.958994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.958994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.958994 (E_RNA)
where:
Base-Base interactions energy: -332.307
where: short stacking energy: -146.702
Base-Backbone interact. energy: -0.843
local terms energy: -146.809183
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -21.976
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: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -489.621289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.621289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.621289 (E_RNA)
where:
Base-Base interactions energy: -339.944
where: short stacking energy: -150.917
Base-Backbone interact. energy: -0.160
local terms energy: -149.517305
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -43.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -439.600612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.600612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.600612 (E_RNA)
where:
Base-Base interactions energy: -307.576
where: short stacking energy: -131.946
Base-Backbone interact. energy: 0.207
local terms energy: -132.230956
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -41.127
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: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -363.263500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.263500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.263500 (E_RNA)
where:
Base-Base interactions energy: -222.167
where: short stacking energy: -113.696
Base-Backbone interact. energy: -0.352
local terms energy: -140.743917
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -32.852
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -34.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -311.746526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.746526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.746526 (E_RNA)
where:
Base-Base interactions energy: -190.705
where: short stacking energy: -105.994
Base-Backbone interact. energy: -0.731
local terms energy: -120.309912
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -313.887403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.887403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.887403 (E_RNA)
where:
Base-Base interactions energy: -211.097
where: short stacking energy: -104.198
Base-Backbone interact. energy: -0.557
local terms energy: -102.233728
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -240.966004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.966004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.966004 (E_RNA)
where:
Base-Base interactions energy: -133.558
where: short stacking energy: -76.860
Base-Backbone interact. energy: -1.058
local terms energy: -106.350105
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -16.315
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: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -191.911274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.911274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.911274 (E_RNA)
where:
Base-Base interactions energy: -107.713
where: short stacking energy: -49.693
Base-Backbone interact. energy: 5.721
local terms energy: -89.919283
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -22.505
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -144.146781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.146781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.146781 (E_RNA)
where:
Base-Base interactions energy: -62.799
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.278
local terms energy: -81.070608
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -11.921
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: 112
Temperature: 1.350000
Total energy: -141.207323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.207323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.207323 (E_RNA)
where:
Base-Base interactions energy: -53.758
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.159
local terms energy: -87.290242
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -7.567
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -470.146385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.146385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.146385 (E_RNA)
where:
Base-Base interactions energy: -315.990
where: short stacking energy: -135.885
Base-Backbone interact. energy: -0.067
local terms energy: -154.089898
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -488.456407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.456407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.456407 (E_RNA)
where:
Base-Base interactions energy: -342.622
where: short stacking energy: -139.215
Base-Backbone interact. energy: -1.949
local terms energy: -143.884577
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -42.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -439.036848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.036848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.036848 (E_RNA)
where:
Base-Base interactions energy: -293.822
where: short stacking energy: -135.092
Base-Backbone interact. energy: -3.678
local terms energy: -141.535927
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -36.748
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -369.872847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.872847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.872847 (E_RNA)
where:
Base-Base interactions energy: -237.027
where: short stacking energy: -107.813
Base-Backbone interact. energy: -0.651
local terms energy: -132.194149
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -24.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -294.224165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.224165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.224165 (E_RNA)
where:
Base-Base interactions energy: -179.205
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.230
local terms energy: -114.788546
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -306.634748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.634748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.634748 (E_RNA)
where:
Base-Base interactions energy: -196.031
where: short stacking energy: -95.232
Base-Backbone interact. energy: -0.817
local terms energy: -109.786957
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -16.325
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: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -277.753750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.753750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.753750 (E_RNA)
where:
Base-Base interactions energy: -178.023
where: short stacking energy: -80.260
Base-Backbone interact. energy: -0.049
local terms energy: -99.681538
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -188.558334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.558334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.558334 (E_RNA)
where:
Base-Base interactions energy: -92.667
where: short stacking energy: -52.008
Base-Backbone interact. energy: 2.808
local terms energy: -98.699620
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -28.565
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -155.990163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.990163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.990163 (E_RNA)
where:
Base-Base interactions energy: -64.860
where: short stacking energy: -49.609
Base-Backbone interact. energy: -1.026
local terms energy: -90.103898
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -138.112381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.112381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.112381 (E_RNA)
where:
Base-Base interactions energy: -57.009
where: short stacking energy: -48.102
Base-Backbone interact. energy: -0.145
local terms energy: -80.958289
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -5.048
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: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -499.171266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.171266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.171266 (E_RNA)
where:
Base-Base interactions energy: -341.058
where: short stacking energy: -153.037
Base-Backbone interact. energy: -0.533
local terms energy: -157.579941
where:
bonds (distance) C4'-P energy: -30.270
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -42.532
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: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -470.987428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.987428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.987428 (E_RNA)
where:
Base-Base interactions energy: -318.343
where: short stacking energy: -135.203
Base-Backbone interact. energy: -0.557
local terms energy: -152.087061
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -45.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -450.333889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.333889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.333889 (E_RNA)
where:
Base-Base interactions energy: -313.640
where: short stacking energy: -135.527
Base-Backbone interact. energy: 0.654
local terms energy: -137.347533
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -35.923
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -395.345698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.345698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.345698 (E_RNA)
where:
Base-Base interactions energy: -249.199
where: short stacking energy: -123.938
Base-Backbone interact. energy: -0.077
local terms energy: -146.069675
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -25.752
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: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -341.895409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.895409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.895409 (E_RNA)
where:
Base-Base interactions energy: -213.601
where: short stacking energy: -91.603
Base-Backbone interact. energy: -0.115
local terms energy: -128.178969
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -272.767769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.767769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.767769 (E_RNA)
where:
Base-Base interactions energy: -158.881
where: short stacking energy: -84.200
Base-Backbone interact. energy: -0.291
local terms energy: -113.595476
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -332.946671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.946671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.946671 (E_RNA)
where:
Base-Base interactions energy: -217.810
where: short stacking energy: -99.605
Base-Backbone interact. energy: 1.082
local terms energy: -116.219091
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -17.681
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: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -168.917814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.917814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.917814 (E_RNA)
where:
Base-Base interactions energy: -80.503
where: short stacking energy: -51.653
Base-Backbone interact. energy: -0.515
local terms energy: -87.900392
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: 5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -144.488504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.488504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.488504 (E_RNA)
where:
Base-Base interactions energy: -55.301
where: short stacking energy: -30.212
Base-Backbone interact. energy: 0.277
local terms energy: -89.464648
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: 4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -137.794765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.794765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.794765 (E_RNA)
where:
Base-Base interactions energy: -43.988
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.296
local terms energy: -93.510563
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -6.966
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: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -505.803696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.803696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.803696 (E_RNA)
where:
Base-Base interactions energy: -355.341
where: short stacking energy: -147.190
Base-Backbone interact. energy: -0.717
local terms energy: -149.745770
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -44.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -469.125822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.125822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.125822 (E_RNA)
where:
Base-Base interactions energy: -321.654
where: short stacking energy: -139.303
Base-Backbone interact. energy: -0.830
local terms energy: -146.641912
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -40.815
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: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -465.353132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.353132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.353132 (E_RNA)
where:
Base-Base interactions energy: -323.316
where: short stacking energy: -133.949
Base-Backbone interact. energy: -1.207
local terms energy: -140.830038
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -44.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -385.815816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.815816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.815816 (E_RNA)
where:
Base-Base interactions energy: -251.553
where: short stacking energy: -128.024
Base-Backbone interact. energy: -1.932
local terms energy: -132.330634
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -38.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -330.911509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.911509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.911509 (E_RNA)
where:
Base-Base interactions energy: -197.876
where: short stacking energy: -102.395
Base-Backbone interact. energy: -0.159
local terms energy: -132.876871
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -23.016
tors. eta vs tors. theta energy: -27.705
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: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -353.120183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.120183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.120183 (E_RNA)
where:
Base-Base interactions energy: -220.529
where: short stacking energy: -117.113
Base-Backbone interact. energy: 0.662
local terms energy: -133.253282
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -34.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -267.934787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.934787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.934787 (E_RNA)
where:
Base-Base interactions energy: -166.790
where: short stacking energy: -86.830
Base-Backbone interact. energy: -0.753
local terms energy: -100.392483
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -8.690
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: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -178.263140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.263140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.263140 (E_RNA)
where:
Base-Base interactions energy: -83.497
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.248
local terms energy: -94.517581
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -6.152
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: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -152.304285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.304285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.304285 (E_RNA)
where:
Base-Base interactions energy: -77.081
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.474
local terms energy: -74.749453
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -3.188
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: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -129.450653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.450653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.450653 (E_RNA)
where:
Base-Base interactions energy: -41.044
where: short stacking energy: -39.425
Base-Backbone interact. energy: -0.048
local terms energy: -88.358426
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -508.256402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.256402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.256402 (E_RNA)
where:
Base-Base interactions energy: -343.884
where: short stacking energy: -146.623
Base-Backbone interact. energy: -1.391
local terms energy: -162.981783
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -460.738683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.738683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.738683 (E_RNA)
where:
Base-Base interactions energy: -306.357
where: short stacking energy: -117.866
Base-Backbone interact. energy: -1.528
local terms energy: -152.853850
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -28.997
flat angles C4'-P-C4' energy: -28.365
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -40.806
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: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -452.525577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.525577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.525577 (E_RNA)
where:
Base-Base interactions energy: -305.661
where: short stacking energy: -140.688
Base-Backbone interact. energy: -1.049
local terms energy: -145.816161
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -374.251409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.251409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.251409 (E_RNA)
where:
Base-Base interactions energy: -238.037
where: short stacking energy: -109.702
Base-Backbone interact. energy: 0.272
local terms energy: -136.487295
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -357.476866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.476866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.476866 (E_RNA)
where:
Base-Base interactions energy: -230.578
where: short stacking energy: -120.697
Base-Backbone interact. energy: 1.639
local terms energy: -128.537570
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -26.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -317.936162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.936162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.936162 (E_RNA)
where:
Base-Base interactions energy: -204.826
where: short stacking energy: -88.260
Base-Backbone interact. energy: -1.004
local terms energy: -112.105574
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -294.780060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.780060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.780060 (E_RNA)
where:
Base-Base interactions energy: -185.807
where: short stacking energy: -91.403
Base-Backbone interact. energy: -1.061
local terms energy: -107.911398
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -20.266
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: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -200.563404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.563404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.563404 (E_RNA)
where:
Base-Base interactions energy: -105.315
where: short stacking energy: -66.984
Base-Backbone interact. energy: 1.864
local terms energy: -97.112728
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -162.607557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.607557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.607557 (E_RNA)
where:
Base-Base interactions energy: -76.245
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.523
local terms energy: -85.839975
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -129.282934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.282934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.282934 (E_RNA)
where:
Base-Base interactions energy: -49.354
where: short stacking energy: -27.908
Base-Backbone interact. energy: -1.701
local terms energy: -78.228022
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: 5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -505.036421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.036421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.036421 (E_RNA)
where:
Base-Base interactions energy: -346.576
where: short stacking energy: -152.559
Base-Backbone interact. energy: 1.111
local terms energy: -159.571458
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -24.767
tors. eta vs tors. theta energy: -43.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -472.905366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.905366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.905366 (E_RNA)
where:
Base-Base interactions energy: -320.582
where: short stacking energy: -133.916
Base-Backbone interact. energy: -0.496
local terms energy: -151.827773
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -33.013
flat angles P-C4'-P energy: -22.051
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: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -454.339792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.339792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.339792 (E_RNA)
where:
Base-Base interactions energy: -300.150
where: short stacking energy: -130.219
Base-Backbone interact. energy: -0.190
local terms energy: -153.999561
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -44.486
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: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -381.674481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.674481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.674481 (E_RNA)
where:
Base-Base interactions energy: -263.352
where: short stacking energy: -108.722
Base-Backbone interact. energy: -1.544
local terms energy: -116.778429
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -26.945
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: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -357.649146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.649146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.649146 (E_RNA)
where:
Base-Base interactions energy: -227.612
where: short stacking energy: -114.101
Base-Backbone interact. energy: -0.104
local terms energy: -129.933986
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -29.115
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: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -327.129547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.129547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.129547 (E_RNA)
where:
Base-Base interactions energy: -197.369
where: short stacking energy: -93.605
Base-Backbone interact. energy: -0.320
local terms energy: -129.439642
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -301.826051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.826051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.826051 (E_RNA)
where:
Base-Base interactions energy: -183.501
where: short stacking energy: -87.438
Base-Backbone interact. energy: 0.649
local terms energy: -118.974024
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -205.118095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.118095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.118095 (E_RNA)
where:
Base-Base interactions energy: -105.810
where: short stacking energy: -59.089
Base-Backbone interact. energy: 2.332
local terms energy: -101.640273
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -9.294
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: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -153.620494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.620494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.620494 (E_RNA)
where:
Base-Base interactions energy: -65.307
where: short stacking energy: -31.093
Base-Backbone interact. energy: -0.948
local terms energy: -87.365706
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -134.501847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.501847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.501847 (E_RNA)
where:
Base-Base interactions energy: -54.777
where: short stacking energy: -38.964
Base-Backbone interact. energy: 3.933
local terms energy: -83.657099
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -0.623
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: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -479.922031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.922031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.922031 (E_RNA)
where:
Base-Base interactions energy: -322.240
where: short stacking energy: -132.127
Base-Backbone interact. energy: 0.415
local terms energy: -158.097526
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -42.452
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: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -487.681112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.681112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.681112 (E_RNA)
where:
Base-Base interactions energy: -325.107
where: short stacking energy: -139.145
Base-Backbone interact. energy: -1.883
local terms energy: -160.690703
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -44.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -442.831118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.831118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.831118 (E_RNA)
where:
Base-Base interactions energy: -310.858
where: short stacking energy: -127.514
Base-Backbone interact. energy: -0.096
local terms energy: -131.876392
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -19.163
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: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -392.974383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.974383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.974383 (E_RNA)
where:
Base-Base interactions energy: -247.628
where: short stacking energy: -118.445
Base-Backbone interact. energy: 0.725
local terms energy: -146.070533
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -34.894
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -365.972948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.972948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.972948 (E_RNA)
where:
Base-Base interactions energy: -241.584
where: short stacking energy: -117.175
Base-Backbone interact. energy: -1.295
local terms energy: -123.093499
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -28.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -302.223579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.223579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.223579 (E_RNA)
where:
Base-Base interactions energy: -198.310
where: short stacking energy: -100.665
Base-Backbone interact. energy: 0.425
local terms energy: -104.338566
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -22.264
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -282.079047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.079047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.079047 (E_RNA)
where:
Base-Base interactions energy: -161.575
where: short stacking energy: -74.389
Base-Backbone interact. energy: -1.754
local terms energy: -118.750016
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -21.971
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -197.700018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.700018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.700018 (E_RNA)
where:
Base-Base interactions energy: -95.889
where: short stacking energy: -54.109
Base-Backbone interact. energy: -0.570
local terms energy: -101.241212
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -5.517
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: 118
Temperature: 1.300000
Total energy: -145.166824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.166824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.166824 (E_RNA)
where:
Base-Base interactions energy: -53.119
where: short stacking energy: -39.917
Base-Backbone interact. energy: -0.772
local terms energy: -91.275067
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -4.970
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -135.166086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.166086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.166086 (E_RNA)
where:
Base-Base interactions energy: -64.573
where: short stacking energy: -39.794
Base-Backbone interact. energy: 0.574
local terms energy: -71.167250
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -473.250052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.250052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.250052 (E_RNA)
where:
Base-Base interactions energy: -329.518
where: short stacking energy: -136.465
Base-Backbone interact. energy: -2.379
local terms energy: -141.353075
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -35.919
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: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -485.885714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.885714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.885714 (E_RNA)
where:
Base-Base interactions energy: -337.066
where: short stacking energy: -150.778
Base-Backbone interact. energy: -1.610
local terms energy: -147.209655
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -39.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -445.117575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.117575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.117575 (E_RNA)
where:
Base-Base interactions energy: -307.298
where: short stacking energy: -127.979
Base-Backbone interact. energy: -0.575
local terms energy: -137.245474
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -30.822
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -38.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -381.359112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.359112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.359112 (E_RNA)
where:
Base-Base interactions energy: -238.750
where: short stacking energy: -114.985
Base-Backbone interact. energy: -0.443
local terms energy: -142.165578
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -31.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -383.482621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.482621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.482621 (E_RNA)
where:
Base-Base interactions energy: -264.904
where: short stacking energy: -116.573
Base-Backbone interact. energy: 0.113
local terms energy: -118.691595
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -17.266
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: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -309.678220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.678220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.678220 (E_RNA)
where:
Base-Base interactions energy: -194.097
where: short stacking energy: -100.601
Base-Backbone interact. energy: 0.502
local terms energy: -116.083055
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -297.464988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.464988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.464988 (E_RNA)
where:
Base-Base interactions energy: -169.399
where: short stacking energy: -90.544
Base-Backbone interact. energy: -1.202
local terms energy: -126.864220
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -24.146
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: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -145.119238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.119238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.119238 (E_RNA)
where:
Base-Base interactions energy: -53.732
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.795
local terms energy: -90.591656
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -6.655
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -194.592458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.592458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.592458 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -51.384
Base-Backbone interact. energy: -1.658
local terms energy: -84.800930
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: 2.196
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: 119
Temperature: 1.350000
Total energy: -132.000492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.000492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.000492 (E_RNA)
where:
Base-Base interactions energy: -53.181
where: short stacking energy: -52.429
Base-Backbone interact. energy: -0.247
local terms energy: -78.572214
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -496.974660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.974660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.974660 (E_RNA)
where:
Base-Base interactions energy: -333.544
where: short stacking energy: -144.249
Base-Backbone interact. energy: -0.991
local terms energy: -162.440265
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -43.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -462.981769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.981769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.981769 (E_RNA)
where:
Base-Base interactions energy: -314.791
where: short stacking energy: -120.209
Base-Backbone interact. energy: -0.895
local terms energy: -147.295730
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -33.849
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -457.873828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.873828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.873828 (E_RNA)
where:
Base-Base interactions energy: -317.433
where: short stacking energy: -130.315
Base-Backbone interact. energy: 0.450
local terms energy: -140.890848
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -19.576
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: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -376.344011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.344011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.344011 (E_RNA)
where:
Base-Base interactions energy: -243.469
where: short stacking energy: -115.590
Base-Backbone interact. energy: 1.633
local terms energy: -134.507775
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -29.219
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: 120
Temperature: 1.100000
Total energy: -396.151925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.151925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.151925 (E_RNA)
where:
Base-Base interactions energy: -259.623
where: short stacking energy: -119.140
Base-Backbone interact. energy: -0.173
local terms energy: -136.356006
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -319.320556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.320556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.320556 (E_RNA)
where:
Base-Base interactions energy: -191.247
where: short stacking energy: -90.409
Base-Backbone interact. energy: -0.158
local terms energy: -127.915309
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -267.745899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.745899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.745899 (E_RNA)
where:
Base-Base interactions energy: -163.950
where: short stacking energy: -93.187
Base-Backbone interact. energy: -0.729
local terms energy: -103.067468
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -22.822
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: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -150.211370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.211370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.211370 (E_RNA)
where:
Base-Base interactions energy: -69.166
where: short stacking energy: -51.951
Base-Backbone interact. energy: 0.870
local terms energy: -81.915127
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: 2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -140.251503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.251503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.251503 (E_RNA)
where:
Base-Base interactions energy: -45.811
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.474
local terms energy: -93.966395
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: 2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -146.230991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.230991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.230991 (E_RNA)
where:
Base-Base interactions energy: -69.932
where: short stacking energy: -45.406
Base-Backbone interact. energy: 1.468
local terms energy: -77.766225
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: 1.188
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: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -494.048614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.048614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.048614 (E_RNA)
where:
Base-Base interactions energy: -333.546
where: short stacking energy: -150.425
Base-Backbone interact. energy: -2.202
local terms energy: -158.301053
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -46.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -471.578849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.578849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.578849 (E_RNA)
where:
Base-Base interactions energy: -325.359
where: short stacking energy: -140.546
Base-Backbone interact. energy: -0.688
local terms energy: -145.532180
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -24.633
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -439.261560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.261560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.261560 (E_RNA)
where:
Base-Base interactions energy: -304.289
where: short stacking energy: -129.840
Base-Backbone interact. energy: 0.627
local terms energy: -135.600261
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -41.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -372.923486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.923486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.923486 (E_RNA)
where:
Base-Base interactions energy: -232.083
where: short stacking energy: -130.948
Base-Backbone interact. energy: -0.104
local terms energy: -140.736248
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -41.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -351.307392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.307392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.307392 (E_RNA)
where:
Base-Base interactions energy: -215.279
where: short stacking energy: -114.616
Base-Backbone interact. energy: 0.394
local terms energy: -136.422388
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -25.474
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -36.863
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: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -311.711158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.711158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.711158 (E_RNA)
where:
Base-Base interactions energy: -200.260
where: short stacking energy: -104.109
Base-Backbone interact. energy: -0.317
local terms energy: -111.134747
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -17.430
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: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -258.237516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.237516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.237516 (E_RNA)
where:
Base-Base interactions energy: -151.616
where: short stacking energy: -67.538
Base-Backbone interact. energy: -0.184
local terms energy: -106.436990
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -150.811291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.811291 (E_RNA)
where:
Base-Base interactions energy: -55.681
where: short stacking energy: -41.582
Base-Backbone interact. energy: -0.792
local terms energy: -94.338496
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -137.679839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.679839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.679839 (E_RNA)
where:
Base-Base interactions energy: -48.948
where: short stacking energy: -34.516
Base-Backbone interact. energy: -0.924
local terms energy: -87.808529
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -23.329
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: 5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -132.694384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.694384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.694384 (E_RNA)
where:
Base-Base interactions energy: -51.028
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.443
local terms energy: -81.223494
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -502.219723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.219723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.219723 (E_RNA)
where:
Base-Base interactions energy: -346.547
where: short stacking energy: -153.332
Base-Backbone interact. energy: -1.427
local terms energy: -154.245583
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -444.066293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.066293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.066293 (E_RNA)
where:
Base-Base interactions energy: -303.160
where: short stacking energy: -119.675
Base-Backbone interact. energy: -0.081
local terms energy: -140.825429
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -40.538
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: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -446.741055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.741055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.741055 (E_RNA)
where:
Base-Base interactions energy: -314.377
where: short stacking energy: -128.711
Base-Backbone interact. energy: -1.056
local terms energy: -131.307731
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -37.039
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: 122
Temperature: 1.050000
Total energy: -401.227602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.227602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.227602 (E_RNA)
where:
Base-Base interactions energy: -262.553
where: short stacking energy: -120.517
Base-Backbone interact. energy: -0.433
local terms energy: -138.240895
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -36.817
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: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -372.190883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.190883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.190883 (E_RNA)
where:
Base-Base interactions energy: -237.084
where: short stacking energy: -107.726
Base-Backbone interact. energy: 1.631
local terms energy: -136.738357
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -28.438
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: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -321.125480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.125480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.125480 (E_RNA)
where:
Base-Base interactions energy: -199.669
where: short stacking energy: -99.229
Base-Backbone interact. energy: -0.015
local terms energy: -121.441329
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -284.745332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.745332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.745332 (E_RNA)
where:
Base-Base interactions energy: -171.078
where: short stacking energy: -89.119
Base-Backbone interact. energy: 0.139
local terms energy: -113.807142
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -144.515609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.515609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.515609 (E_RNA)
where:
Base-Base interactions energy: -57.461
where: short stacking energy: -47.588
Base-Backbone interact. energy: -0.449
local terms energy: -86.605995
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -137.644416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.644416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.644416 (E_RNA)
where:
Base-Base interactions energy: -54.742
where: short stacking energy: -42.538
Base-Backbone interact. energy: -0.558
local terms energy: -82.344683
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: 4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -156.147445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.147445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.147445 (E_RNA)
where:
Base-Base interactions energy: -64.861
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.157
local terms energy: -91.129801
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -497.335238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.335238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.335238 (E_RNA)
where:
Base-Base interactions energy: -336.623
where: short stacking energy: -143.411
Base-Backbone interact. energy: -1.160
local terms energy: -159.552250
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -45.726
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -477.449236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.449236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.449236 (E_RNA)
where:
Base-Base interactions energy: -339.195
where: short stacking energy: -134.165
Base-Backbone interact. energy: -0.374
local terms energy: -137.879923
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -14.779
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: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -459.062532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.062532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.062532 (E_RNA)
where:
Base-Base interactions energy: -306.823
where: short stacking energy: -143.471
Base-Backbone interact. energy: -0.738
local terms energy: -151.501024
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -31.852
flat angles C4'-P-C4' energy: -33.229
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -43.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -388.295776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.295776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.295776 (E_RNA)
where:
Base-Base interactions energy: -261.990
where: short stacking energy: -114.635
Base-Backbone interact. energy: 1.254
local terms energy: -127.560034
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -28.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -387.725287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.725287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.725287 (E_RNA)
where:
Base-Base interactions energy: -258.838
where: short stacking energy: -127.396
Base-Backbone interact. energy: -0.189
local terms energy: -128.698252
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -319.527637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.527637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.527637 (E_RNA)
where:
Base-Base interactions energy: -192.936
where: short stacking energy: -105.024
Base-Backbone interact. energy: -0.412
local terms energy: -126.179500
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -29.362
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: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -280.288001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.288001 (E_RNA)
where:
Base-Base interactions energy: -173.742
where: short stacking energy: -83.148
Base-Backbone interact. energy: 0.738
local terms energy: -107.284417
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -166.644811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.644811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.644811 (E_RNA)
where:
Base-Base interactions energy: -79.225
where: short stacking energy: -55.812
Base-Backbone interact. energy: 0.433
local terms energy: -87.852835
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -8.923
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: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -147.552117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.552117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.552117 (E_RNA)
where:
Base-Base interactions energy: -55.967
where: short stacking energy: -27.128
Base-Backbone interact. energy: 2.531
local terms energy: -94.116551
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: 0.690
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: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -152.327330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.327330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.327330 (E_RNA)
where:
Base-Base interactions energy: -63.827
where: short stacking energy: -42.678
Base-Backbone interact. energy: 0.230
local terms energy: -88.730369
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: 5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -502.511112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.511112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.511112 (E_RNA)
where:
Base-Base interactions energy: -334.787
where: short stacking energy: -144.886
Base-Backbone interact. energy: -1.671
local terms energy: -166.053145
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -28.129
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -44.109
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: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -470.308305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.308305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.308305 (E_RNA)
where:
Base-Base interactions energy: -321.866
where: short stacking energy: -136.229
Base-Backbone interact. energy: -0.391
local terms energy: -148.050800
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -19.957
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -464.698231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.698231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.698231 (E_RNA)
where:
Base-Base interactions energy: -317.953
where: short stacking energy: -139.151
Base-Backbone interact. energy: -0.141
local terms energy: -146.603909
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -42.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -394.656490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.656490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.656490 (E_RNA)
where:
Base-Base interactions energy: -252.806
where: short stacking energy: -121.113
Base-Backbone interact. energy: -0.984
local terms energy: -140.866651
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -30.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -408.582393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.582393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.582393 (E_RNA)
where:
Base-Base interactions energy: -261.831
where: short stacking energy: -126.450
Base-Backbone interact. energy: -0.004
local terms energy: -146.747189
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -31.275
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -40.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -309.051277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.051277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.051277 (E_RNA)
where:
Base-Base interactions energy: -194.132
where: short stacking energy: -98.490
Base-Backbone interact. energy: -0.274
local terms energy: -114.645114
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -257.928148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.928148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.928148 (E_RNA)
where:
Base-Base interactions energy: -144.762
where: short stacking energy: -80.358
Base-Backbone interact. energy: 0.884
local terms energy: -114.050155
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -151.656975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.656975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.656975 (E_RNA)
where:
Base-Base interactions energy: -66.442
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.054
local terms energy: -85.161688
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -137.517094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.517094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.517094 (E_RNA)
where:
Base-Base interactions energy: -58.240
where: short stacking energy: -46.256
Base-Backbone interact. energy: 0.107
local terms energy: -79.384428
where:
bonds (distance) C4'-P energy: -24.154
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -134.851736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.851736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.851736 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.339
local terms energy: -95.056076
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -503.912925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.912925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.912925 (E_RNA)
where:
Base-Base interactions energy: -342.400
where: short stacking energy: -147.990
Base-Backbone interact. energy: -0.810
local terms energy: -160.703349
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -34.618
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -43.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -474.431164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.431164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.431164 (E_RNA)
where:
Base-Base interactions energy: -332.435
where: short stacking energy: -129.247
Base-Backbone interact. energy: -2.142
local terms energy: -139.855069
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -33.890
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -38.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -449.528579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.528579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.528579 (E_RNA)
where:
Base-Base interactions energy: -307.480
where: short stacking energy: -125.802
Base-Backbone interact. energy: -0.495
local terms energy: -141.553352
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -20.757
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: 125
Temperature: 1.050000
Total energy: -404.733916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.733916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.733916 (E_RNA)
where:
Base-Base interactions energy: -265.230
where: short stacking energy: -129.042
Base-Backbone interact. energy: -0.750
local terms energy: -138.754060
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -387.952413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.952413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.952413 (E_RNA)
where:
Base-Base interactions energy: -268.005
where: short stacking energy: -118.150
Base-Backbone interact. energy: -0.246
local terms energy: -119.700614
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -27.553
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -31.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -320.215508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.215508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.215508 (E_RNA)
where:
Base-Base interactions energy: -195.509
where: short stacking energy: -98.534
Base-Backbone interact. energy: -0.052
local terms energy: -124.653967
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -30.504
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -274.983743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.983743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.983743 (E_RNA)
where:
Base-Base interactions energy: -175.855
where: short stacking energy: -80.950
Base-Backbone interact. energy: -0.288
local terms energy: -98.840520
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -167.333509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.333509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.333509 (E_RNA)
where:
Base-Base interactions energy: -73.643
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.297
local terms energy: -93.394129
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -139.163632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.163632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.163632 (E_RNA)
where:
Base-Base interactions energy: -53.688
where: short stacking energy: -47.771
Base-Backbone interact. energy: -0.715
local terms energy: -84.760550
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -2.426
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: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -137.480050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.480050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.480050 (E_RNA)
where:
Base-Base interactions energy: -47.432
where: short stacking energy: -45.293
Base-Backbone interact. energy: -1.202
local terms energy: -88.846153
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -480.587352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.587352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.587352 (E_RNA)
where:
Base-Base interactions energy: -335.965
where: short stacking energy: -145.481
Base-Backbone interact. energy: 0.333
local terms energy: -144.956223
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -40.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -460.004484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.004484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.004484 (E_RNA)
where:
Base-Base interactions energy: -322.431
where: short stacking energy: -132.508
Base-Backbone interact. energy: -0.123
local terms energy: -137.450727
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -15.411
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: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -461.996691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.996691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.996691 (E_RNA)
where:
Base-Base interactions energy: -308.681
where: short stacking energy: -130.591
Base-Backbone interact. energy: -1.513
local terms energy: -151.802236
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -38.623
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: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -403.904381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.904381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.904381 (E_RNA)
where:
Base-Base interactions energy: -263.088
where: short stacking energy: -132.588
Base-Backbone interact. energy: -0.178
local terms energy: -140.638451
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -27.088
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -37.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -406.016690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.016690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.016690 (E_RNA)
where:
Base-Base interactions energy: -267.279
where: short stacking energy: -128.531
Base-Backbone interact. energy: -1.587
local terms energy: -137.150374
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -35.587
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: 126
Temperature: 1.150000
Total energy: -319.672599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.672599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.672599 (E_RNA)
where:
Base-Base interactions energy: -194.332
where: short stacking energy: -101.315
Base-Backbone interact. energy: -0.068
local terms energy: -125.272119
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -254.860633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.860633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.860633 (E_RNA)
where:
Base-Base interactions energy: -156.156
where: short stacking energy: -74.801
Base-Backbone interact. energy: 1.718
local terms energy: -100.422429
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -10.580
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: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -154.835912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.835912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.835912 (E_RNA)
where:
Base-Base interactions energy: -67.213
where: short stacking energy: -51.567
Base-Backbone interact. energy: 0.534
local terms energy: -88.157138
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -175.354134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.354134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.354134 (E_RNA)
where:
Base-Base interactions energy: -79.426
where: short stacking energy: -56.394
Base-Backbone interact. energy: -0.909
local terms energy: -95.018803
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -122.692199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.692199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.692199 (E_RNA)
where:
Base-Base interactions energy: -48.154
where: short stacking energy: -39.341
Base-Backbone interact. energy: -1.124
local terms energy: -73.413382
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: 7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -481.919249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.919249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.919249 (E_RNA)
where:
Base-Base interactions energy: -329.694
where: short stacking energy: -139.667
Base-Backbone interact. energy: 0.392
local terms energy: -152.617423
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -32.405
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -26.181
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: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -468.932522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.932522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.932522 (E_RNA)
where:
Base-Base interactions energy: -316.067
where: short stacking energy: -142.876
Base-Backbone interact. energy: -1.131
local terms energy: -151.734874
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -465.562696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.562696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.562696 (E_RNA)
where:
Base-Base interactions energy: -322.305
where: short stacking energy: -140.250
Base-Backbone interact. energy: -0.104
local terms energy: -143.153522
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -40.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -393.751306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.751306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.751306 (E_RNA)
where:
Base-Base interactions energy: -259.870
where: short stacking energy: -115.018
Base-Backbone interact. energy: 0.704
local terms energy: -134.585015
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -34.174
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -10.614
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -392.126306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.126306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.126306 (E_RNA)
where:
Base-Base interactions energy: -265.756
where: short stacking energy: -119.338
Base-Backbone interact. energy: 0.954
local terms energy: -127.324430
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -26.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -316.317830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.317830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.317830 (E_RNA)
where:
Base-Base interactions energy: -186.905
where: short stacking energy: -94.540
Base-Backbone interact. energy: -0.702
local terms energy: -128.710678
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -274.092111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.092111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.092111 (E_RNA)
where:
Base-Base interactions energy: -162.777
where: short stacking energy: -76.383
Base-Backbone interact. energy: -0.013
local terms energy: -111.301245
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -157.534209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.534209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.534209 (E_RNA)
where:
Base-Base interactions energy: -58.631
where: short stacking energy: -52.374
Base-Backbone interact. energy: -1.471
local terms energy: -97.432746
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -151.011351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.011351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.011351 (E_RNA)
where:
Base-Base interactions energy: -73.504
where: short stacking energy: -50.312
Base-Backbone interact. energy: 0.883
local terms energy: -78.389699
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -28.724
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: 3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -133.117527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.117527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.117527 (E_RNA)
where:
Base-Base interactions energy: -42.960
where: short stacking energy: -40.660
Base-Backbone interact. energy: 0.336
local terms energy: -90.493987
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -478.724654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.724654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.724654 (E_RNA)
where:
Base-Base interactions energy: -325.705
where: short stacking energy: -139.466
Base-Backbone interact. energy: 1.395
local terms energy: -154.414609
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -25.459
tors. eta vs tors. theta energy: -42.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -469.872609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.872609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.872609 (E_RNA)
where:
Base-Base interactions energy: -319.479
where: short stacking energy: -139.378
Base-Backbone interact. energy: -0.960
local terms energy: -149.433503
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -50.189
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: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -470.254433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.254433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.254433 (E_RNA)
where:
Base-Base interactions energy: -323.862
where: short stacking energy: -141.662
Base-Backbone interact. energy: -0.788
local terms energy: -145.604264
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -41.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -411.261331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.261331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.261331 (E_RNA)
where:
Base-Base interactions energy: -273.740
where: short stacking energy: -120.063
Base-Backbone interact. energy: 0.102
local terms energy: -137.623775
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -21.204
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: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -373.710671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.710671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.710671 (E_RNA)
where:
Base-Base interactions energy: -241.184
where: short stacking energy: -121.914
Base-Backbone interact. energy: -0.451
local terms energy: -132.075557
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -30.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -304.182136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.182136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.182136 (E_RNA)
where:
Base-Base interactions energy: -202.642
where: short stacking energy: -88.079
Base-Backbone interact. energy: -0.911
local terms energy: -100.628607
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -18.588
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: 128
Temperature: 1.200000
Total energy: -303.060939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.060939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.060939 (E_RNA)
where:
Base-Base interactions energy: -179.816
where: short stacking energy: -74.048
Base-Backbone interact. energy: -0.181
local terms energy: -123.063857
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -159.665118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.665118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.665118 (E_RNA)
where:
Base-Base interactions energy: -60.600
where: short stacking energy: -44.656
Base-Backbone interact. energy: -0.234
local terms energy: -98.831543
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -130.025577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025577 (E_RNA)
where:
Base-Base interactions energy: -57.880
where: short stacking energy: -55.974
Base-Backbone interact. energy: 0.364
local terms energy: -72.509055
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -136.135658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.135658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.135658 (E_RNA)
where:
Base-Base interactions energy: -38.636
where: short stacking energy: -38.636
Base-Backbone interact. energy: -0.057
local terms energy: -97.443002
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: 3.037
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: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -501.147992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.147992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.147992 (E_RNA)
where:
Base-Base interactions energy: -339.880
where: short stacking energy: -152.792
Base-Backbone interact. energy: 0.201
local terms energy: -161.469717
where:
bonds (distance) C4'-P energy: -29.760
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -42.182
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: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -480.089742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.089742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.089742 (E_RNA)
where:
Base-Base interactions energy: -326.498
where: short stacking energy: -139.374
Base-Backbone interact. energy: -0.085
local terms energy: -153.507298
where:
bonds (distance) C4'-P energy: -26.809
bonds (distance) P-C4' energy: -32.333
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -45.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -457.561716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.561716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.561716 (E_RNA)
where:
Base-Base interactions energy: -301.625
where: short stacking energy: -136.744
Base-Backbone interact. energy: -1.648
local terms energy: -154.288359
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -42.371
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: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -419.665936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.665936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.665936 (E_RNA)
where:
Base-Base interactions energy: -283.931
where: short stacking energy: -137.956
Base-Backbone interact. energy: -0.913
local terms energy: -134.822518
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -38.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -382.903806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.903806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.903806 (E_RNA)
where:
Base-Base interactions energy: -249.160
where: short stacking energy: -126.272
Base-Backbone interact. energy: 0.935
local terms energy: -134.679031
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -32.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -305.972189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.972189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.972189 (E_RNA)
where:
Base-Base interactions energy: -194.946
where: short stacking energy: -95.155
Base-Backbone interact. energy: -0.534
local terms energy: -110.492687
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -269.252340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.252340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.252340 (E_RNA)
where:
Base-Base interactions energy: -149.828
where: short stacking energy: -70.988
Base-Backbone interact. energy: 0.028
local terms energy: -119.452944
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -16.125
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: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -169.728910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.728910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.728910 (E_RNA)
where:
Base-Base interactions energy: -68.882
where: short stacking energy: -50.027
Base-Backbone interact. energy: 0.127
local terms energy: -100.973743
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -10.552
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -128.963161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.963161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.963161 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.512
local terms energy: -79.543398
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: 1.341
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: 129
Temperature: 1.350000
Total energy: -128.229722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.229722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.229722 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -30.788
Base-Backbone interact. energy: 0.564
local terms energy: -91.719403
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -457.414133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.414133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.414133 (E_RNA)
where:
Base-Base interactions energy: -314.146
where: short stacking energy: -130.816
Base-Backbone interact. energy: -0.234
local terms energy: -143.033837
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -40.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -482.339913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.339913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.339913 (E_RNA)
where:
Base-Base interactions energy: -335.184
where: short stacking energy: -144.876
Base-Backbone interact. energy: -0.498
local terms energy: -146.657906
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -29.578
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -45.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -449.999552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.999552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.999552 (E_RNA)
where:
Base-Base interactions energy: -299.224
where: short stacking energy: -126.333
Base-Backbone interact. energy: -1.822
local terms energy: -148.953458
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -38.161
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: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -415.067649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.067649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.067649 (E_RNA)
where:
Base-Base interactions energy: -258.899
where: short stacking energy: -133.405
Base-Backbone interact. energy: -0.645
local terms energy: -155.523541
where:
bonds (distance) C4'-P energy: -30.058
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -38.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -394.055136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.055136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.055136 (E_RNA)
where:
Base-Base interactions energy: -247.605
where: short stacking energy: -131.267
Base-Backbone interact. energy: -0.071
local terms energy: -146.379140
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -37.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -304.794392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.794392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.794392 (E_RNA)
where:
Base-Base interactions energy: -180.526
where: short stacking energy: -89.431
Base-Backbone interact. energy: -0.607
local terms energy: -123.661103
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -248.105544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.105544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.105544 (E_RNA)
where:
Base-Base interactions energy: -147.656
where: short stacking energy: -71.268
Base-Backbone interact. energy: 1.855
local terms energy: -102.304488
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -27.681
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -161.267935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.267935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.267935 (E_RNA)
where:
Base-Base interactions energy: -65.915
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.410
local terms energy: -94.942877
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: 2.631
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: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -144.541715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.541715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.541715 (E_RNA)
where:
Base-Base interactions energy: -79.584
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.324
local terms energy: -64.633669
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -171.762649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.762649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.762649 (E_RNA)
where:
Base-Base interactions energy: -80.751
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.377
local terms energy: -90.634156
where:
bonds (distance) C4'-P energy: -27.109
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -3.514
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: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -486.567485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.567485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.567485 (E_RNA)
where:
Base-Base interactions energy: -327.370
where: short stacking energy: -126.860
Base-Backbone interact. energy: -0.538
local terms energy: -158.659232
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -41.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -490.157414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.157414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.157414 (E_RNA)
where:
Base-Base interactions energy: -336.044
where: short stacking energy: -149.221
Base-Backbone interact. energy: 1.469
local terms energy: -155.581826
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -42.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -441.056989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.056989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.056989 (E_RNA)
where:
Base-Base interactions energy: -295.445
where: short stacking energy: -127.785
Base-Backbone interact. energy: -1.634
local terms energy: -143.977853
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -42.987
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: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -394.550543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.550543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.550543 (E_RNA)
where:
Base-Base interactions energy: -245.013
where: short stacking energy: -124.117
Base-Backbone interact. energy: -0.440
local terms energy: -149.097664
where:
bonds (distance) C4'-P energy: -33.167
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -31.243
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -38.673
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: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -410.094243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.094243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.094243 (E_RNA)
where:
Base-Base interactions energy: -269.934
where: short stacking energy: -119.998
Base-Backbone interact. energy: -0.633
local terms energy: -139.526838
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -34.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -264.593691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.593691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.593691 (E_RNA)
where:
Base-Base interactions energy: -151.629
where: short stacking energy: -79.157
Base-Backbone interact. energy: -0.346
local terms energy: -112.618175
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -293.691318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.691318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.691318 (E_RNA)
where:
Base-Base interactions energy: -185.009
where: short stacking energy: -87.975
Base-Backbone interact. energy: 0.559
local terms energy: -109.242202
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -155.255362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.255362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.255362 (E_RNA)
where:
Base-Base interactions energy: -60.551
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.574
local terms energy: -94.129790
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -145.156952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.156952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.156952 (E_RNA)
where:
Base-Base interactions energy: -58.874
where: short stacking energy: -49.284
Base-Backbone interact. energy: 0.645
local terms energy: -86.927693
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -193.505103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.505103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.505103 (E_RNA)
where:
Base-Base interactions energy: -94.090
where: short stacking energy: -58.166
Base-Backbone interact. energy: 0.073
local terms energy: -99.487873
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -502.359552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.359552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.359552 (E_RNA)
where:
Base-Base interactions energy: -344.153
where: short stacking energy: -155.468
Base-Backbone interact. energy: -1.899
local terms energy: -156.307483
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -25.502
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: 132
Temperature: 0.950000
Total energy: -459.559696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.559696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.559696 (E_RNA)
where:
Base-Base interactions energy: -305.170
where: short stacking energy: -119.632
Base-Backbone interact. energy: -1.689
local terms energy: -152.700634
where:
bonds (distance) C4'-P energy: -30.979
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -17.907
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: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -444.447910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.447910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.447910 (E_RNA)
where:
Base-Base interactions energy: -303.741
where: short stacking energy: -136.662
Base-Backbone interact. energy: 0.194
local terms energy: -140.901348
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -41.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -391.663472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.663472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.663472 (E_RNA)
where:
Base-Base interactions energy: -257.640
where: short stacking energy: -122.771
Base-Backbone interact. energy: -0.856
local terms energy: -133.167398
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -29.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -402.594318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.594318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.594318 (E_RNA)
where:
Base-Base interactions energy: -258.561
where: short stacking energy: -110.605
Base-Backbone interact. energy: -0.329
local terms energy: -143.703724
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -23.064
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: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -277.222591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.222591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.222591 (E_RNA)
where:
Base-Base interactions energy: -168.604
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.414
local terms energy: -108.204257
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -298.500341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.500341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.500341 (E_RNA)
where:
Base-Base interactions energy: -181.580
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.670
local terms energy: -116.249496
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -184.950562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.950562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.950562 (E_RNA)
where:
Base-Base interactions energy: -79.037
where: short stacking energy: -60.751
Base-Backbone interact. energy: -0.015
local terms energy: -105.899196
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -29.937
flat angles C4'-P-C4' energy: -25.972
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -11.804
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: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -138.425210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.425210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.425210 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -39.337
Base-Backbone interact. energy: 0.927
local terms energy: -93.215103
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -151.904214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.904214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.904214 (E_RNA)
where:
Base-Base interactions energy: -63.283
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.112
local terms energy: -88.509778
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -493.945160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.945160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.945160 (E_RNA)
where:
Base-Base interactions energy: -335.986
where: short stacking energy: -136.777
Base-Backbone interact. energy: -0.112
local terms energy: -157.847182
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -42.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -452.104619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.104619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.104619 (E_RNA)
where:
Base-Base interactions energy: -295.444
where: short stacking energy: -133.262
Base-Backbone interact. energy: -1.483
local terms energy: -155.177916
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -39.297
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -467.499730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.499730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.499730 (E_RNA)
where:
Base-Base interactions energy: -310.886
where: short stacking energy: -132.188
Base-Backbone interact. energy: -0.417
local terms energy: -156.196613
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -415.812934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.812934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.812934 (E_RNA)
where:
Base-Base interactions energy: -277.865
where: short stacking energy: -134.554
Base-Backbone interact. energy: -0.060
local terms energy: -137.887394
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -41.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -406.477649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.477649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.477649 (E_RNA)
where:
Base-Base interactions energy: -270.941
where: short stacking energy: -118.072
Base-Backbone interact. energy: -0.248
local terms energy: -135.288420
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -33.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -324.285200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.285200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.285200 (E_RNA)
where:
Base-Base interactions energy: -211.440
where: short stacking energy: -97.611
Base-Backbone interact. energy: -0.774
local terms energy: -112.071864
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -288.360663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.360663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.360663 (E_RNA)
where:
Base-Base interactions energy: -180.784
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.169
local terms energy: -107.407154
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -141.871729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.871729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.871729 (E_RNA)
where:
Base-Base interactions energy: -57.108
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.634
local terms energy: -84.129831
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: 6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -161.312255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.312255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.312255 (E_RNA)
where:
Base-Base interactions energy: -66.313
where: short stacking energy: -46.810
Base-Backbone interact. energy: 2.821
local terms energy: -97.820131
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -137.793251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.793251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.793251 (E_RNA)
where:
Base-Base interactions energy: -57.267
where: short stacking energy: -47.141
Base-Backbone interact. energy: -0.333
local terms energy: -80.193548
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -490.226212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.226212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.226212 (E_RNA)
where:
Base-Base interactions energy: -345.431
where: short stacking energy: -150.208
Base-Backbone interact. energy: -1.418
local terms energy: -143.376910
where:
bonds (distance) C4'-P energy: -26.759
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -41.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -457.597286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.597286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.597286 (E_RNA)
where:
Base-Base interactions energy: -315.725
where: short stacking energy: -136.379
Base-Backbone interact. energy: -0.649
local terms energy: -141.223286
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -40.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -448.464307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.464307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.464307 (E_RNA)
where:
Base-Base interactions energy: -304.814
where: short stacking energy: -120.524
Base-Backbone interact. energy: -1.149
local terms energy: -142.500829
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -16.027
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: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -411.471957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.471957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.471957 (E_RNA)
where:
Base-Base interactions energy: -273.465
where: short stacking energy: -136.334
Base-Backbone interact. energy: -0.598
local terms energy: -137.409609
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -38.722
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: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -386.319792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.319792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.319792 (E_RNA)
where:
Base-Base interactions energy: -261.673
where: short stacking energy: -101.959
Base-Backbone interact. energy: -1.005
local terms energy: -123.641397
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -28.239
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: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -308.892988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.892988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.892988 (E_RNA)
where:
Base-Base interactions energy: -200.036
where: short stacking energy: -95.189
Base-Backbone interact. energy: -1.401
local terms energy: -107.455867
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -269.672039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.672039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.672039 (E_RNA)
where:
Base-Base interactions energy: -155.926
where: short stacking energy: -86.892
Base-Backbone interact. energy: -0.308
local terms energy: -113.437594
where:
bonds (distance) C4'-P energy: -26.015
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -23.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -170.050117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.050117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.050117 (E_RNA)
where:
Base-Base interactions energy: -74.199
where: short stacking energy: -50.990
Base-Backbone interact. energy: -1.014
local terms energy: -94.837686
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -132.613908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.613908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.613908 (E_RNA)
where:
Base-Base interactions energy: -66.437
where: short stacking energy: -60.748
Base-Backbone interact. energy: 2.531
local terms energy: -68.707357
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -134.787635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.787635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.787635 (E_RNA)
where:
Base-Base interactions energy: -48.490
where: short stacking energy: -38.012
Base-Backbone interact. energy: -0.480
local terms energy: -85.818030
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -490.461126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.461126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.461126 (E_RNA)
where:
Base-Base interactions energy: -335.554
where: short stacking energy: -140.735
Base-Backbone interact. energy: -3.139
local terms energy: -151.768877
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -28.462
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -41.503
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -454.349764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.349764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.349764 (E_RNA)
where:
Base-Base interactions energy: -308.128
where: short stacking energy: -134.554
Base-Backbone interact. energy: -0.922
local terms energy: -145.299220
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -27.566
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -21.907
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: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -441.746716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.746716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.746716 (E_RNA)
where:
Base-Base interactions energy: -300.507
where: short stacking energy: -130.265
Base-Backbone interact. energy: -0.610
local terms energy: -140.629970
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -41.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -403.514413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.514413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.514413 (E_RNA)
where:
Base-Base interactions energy: -249.898
where: short stacking energy: -130.037
Base-Backbone interact. energy: -0.162
local terms energy: -153.454571
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -389.813168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.813168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.813168 (E_RNA)
where:
Base-Base interactions energy: -255.204
where: short stacking energy: -124.503
Base-Backbone interact. energy: -0.372
local terms energy: -134.237668
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -35.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -316.531835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.531835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.531835 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -93.749
Base-Backbone interact. energy: -0.431
local terms energy: -120.189131
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -27.034
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -254.621279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.621279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.621279 (E_RNA)
where:
Base-Base interactions energy: -156.552
where: short stacking energy: -61.072
Base-Backbone interact. energy: 0.020
local terms energy: -98.089433
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -9.454
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: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -159.783104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.783104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.783104 (E_RNA)
where:
Base-Base interactions energy: -63.868
where: short stacking energy: -50.397
Base-Backbone interact. energy: 2.370
local terms energy: -98.285843
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -148.667263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.667263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.667263 (E_RNA)
where:
Base-Base interactions energy: -67.294
where: short stacking energy: -46.291
Base-Backbone interact. energy: -0.255
local terms energy: -81.118370
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: 1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -142.398120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.398120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.398120 (E_RNA)
where:
Base-Base interactions energy: -64.350
where: short stacking energy: -50.029
Base-Backbone interact. energy: 0.120
local terms energy: -78.168148
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -473.011919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.011919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.011919 (E_RNA)
where:
Base-Base interactions energy: -321.477
where: short stacking energy: -137.527
Base-Backbone interact. energy: -1.002
local terms energy: -150.532606
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -44.503
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: 136
Temperature: 0.950000
Total energy: -482.337994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.337994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.337994 (E_RNA)
where:
Base-Base interactions energy: -332.567
where: short stacking energy: -147.955
Base-Backbone interact. energy: -0.994
local terms energy: -148.776899
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -28.609
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -42.756
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -420.405169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.405169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.405169 (E_RNA)
where:
Base-Base interactions energy: -278.010
where: short stacking energy: -119.452
Base-Backbone interact. energy: -1.022
local terms energy: -141.372653
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -34.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -396.108107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.108107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.108107 (E_RNA)
where:
Base-Base interactions energy: -272.838
where: short stacking energy: -119.148
Base-Backbone interact. energy: 0.579
local terms energy: -123.849378
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -30.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -390.101140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.101140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.101140 (E_RNA)
where:
Base-Base interactions energy: -262.335
where: short stacking energy: -121.554
Base-Backbone interact. energy: -1.740
local terms energy: -126.026054
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -32.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -328.370716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.370716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.370716 (E_RNA)
where:
Base-Base interactions energy: -210.648
where: short stacking energy: -92.252
Base-Backbone interact. energy: -0.232
local terms energy: -117.490706
where:
bonds (distance) C4'-P energy: -29.523
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -24.758
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: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -280.159819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.159819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.159819 (E_RNA)
where:
Base-Base interactions energy: -170.641
where: short stacking energy: -83.052
Base-Backbone interact. energy: 0.077
local terms energy: -109.596077
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -147.656161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.656161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.656161 (E_RNA)
where:
Base-Base interactions energy: -51.461
where: short stacking energy: -39.017
Base-Backbone interact. energy: -1.453
local terms energy: -94.741728
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: 0.131
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -150.845530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.845530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.845530 (E_RNA)
where:
Base-Base interactions energy: -42.737
where: short stacking energy: -37.418
Base-Backbone interact. energy: 0.568
local terms energy: -108.676378
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -138.774125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.774125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.774125 (E_RNA)
where:
Base-Base interactions energy: -56.490
where: short stacking energy: -43.156
Base-Backbone interact. energy: 0.181
local terms energy: -82.464826
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -11.931
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: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -467.029308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.029308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.029308 (E_RNA)
where:
Base-Base interactions energy: -310.075
where: short stacking energy: -134.406
Base-Backbone interact. energy: -1.067
local terms energy: -155.887193
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -30.527
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -495.625309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.625309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.625309 (E_RNA)
where:
Base-Base interactions energy: -337.890
where: short stacking energy: -142.850
Base-Backbone interact. energy: -1.502
local terms energy: -156.233400
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -23.076
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: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -450.116923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.116923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.116923 (E_RNA)
where:
Base-Base interactions energy: -310.657
where: short stacking energy: -127.703
Base-Backbone interact. energy: 1.667
local terms energy: -141.126515
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -395.993351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.993351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.993351 (E_RNA)
where:
Base-Base interactions energy: -251.326
where: short stacking energy: -120.123
Base-Backbone interact. energy: -0.540
local terms energy: -144.128004
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -35.537
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -33.506
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -357.541392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.541392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.541392 (E_RNA)
where:
Base-Base interactions energy: -241.639
where: short stacking energy: -117.509
Base-Backbone interact. energy: -0.163
local terms energy: -115.738661
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -329.960761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.960761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.960761 (E_RNA)
where:
Base-Base interactions energy: -199.319
where: short stacking energy: -97.581
Base-Backbone interact. energy: 0.676
local terms energy: -131.317528
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -265.022542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.022542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.022542 (E_RNA)
where:
Base-Base interactions energy: -150.142
where: short stacking energy: -76.330
Base-Backbone interact. energy: -0.328
local terms energy: -114.552278
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -147.335289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.335289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.335289 (E_RNA)
where:
Base-Base interactions energy: -50.553
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.305
local terms energy: -96.477370
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -169.341260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.341260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.341260 (E_RNA)
where:
Base-Base interactions energy: -85.801
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.003
local terms energy: -83.537449
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -139.404878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.404878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.404878 (E_RNA)
where:
Base-Base interactions energy: -65.855
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.884
local terms energy: -72.666372
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: 1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -481.445450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.445450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.445450 (E_RNA)
where:
Base-Base interactions energy: -332.787
where: short stacking energy: -143.488
Base-Backbone interact. energy: 0.083
local terms energy: -148.741168
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -40.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -456.651345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.651345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.651345 (E_RNA)
where:
Base-Base interactions energy: -307.044
where: short stacking energy: -135.658
Base-Backbone interact. energy: -0.336
local terms energy: -149.272153
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -43.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -443.489603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.489603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.489603 (E_RNA)
where:
Base-Base interactions energy: -291.428
where: short stacking energy: -126.356
Base-Backbone interact. energy: -0.273
local terms energy: -151.788073
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -30.596
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -39.558
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: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -389.041872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.041872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.041872 (E_RNA)
where:
Base-Base interactions energy: -250.721
where: short stacking energy: -113.550
Base-Backbone interact. energy: -0.241
local terms energy: -138.079732
where:
bonds (distance) C4'-P energy: -27.437
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -31.551
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -35.451
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: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -364.077472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.077472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.077472 (E_RNA)
where:
Base-Base interactions energy: -229.902
where: short stacking energy: -109.585
Base-Backbone interact. energy: -0.217
local terms energy: -133.958578
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -24.906
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -324.553308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.553308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.553308 (E_RNA)
where:
Base-Base interactions energy: -204.167
where: short stacking energy: -106.334
Base-Backbone interact. energy: -0.659
local terms energy: -119.727867
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -14.085
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: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -263.071382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.071382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.071382 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -78.596
Base-Backbone interact. energy: -0.359
local terms energy: -104.387304
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -143.393036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.393036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.393036 (E_RNA)
where:
Base-Base interactions energy: -75.511
where: short stacking energy: -22.744
Base-Backbone interact. energy: -0.910
local terms energy: -66.971900
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -151.663293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.663293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.663293 (E_RNA)
where:
Base-Base interactions energy: -66.393
where: short stacking energy: -54.945
Base-Backbone interact. energy: 0.612
local terms energy: -85.882374
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -158.057784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.057784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.057784 (E_RNA)
where:
Base-Base interactions energy: -50.170
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.176
local terms energy: -107.711467
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -495.478927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.478927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.478927 (E_RNA)
where:
Base-Base interactions energy: -343.444
where: short stacking energy: -142.753
Base-Backbone interact. energy: -0.045
local terms energy: -151.989637
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -43.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -466.647440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.647440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.647440 (E_RNA)
where:
Base-Base interactions energy: -318.661
where: short stacking energy: -133.879
Base-Backbone interact. energy: -0.216
local terms energy: -147.770195
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -432.583942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.583942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.583942 (E_RNA)
where:
Base-Base interactions energy: -283.488
where: short stacking energy: -121.802
Base-Backbone interact. energy: -0.187
local terms energy: -148.909019
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -24.060
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: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -412.855581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.855581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.855581 (E_RNA)
where:
Base-Base interactions energy: -262.486
where: short stacking energy: -125.316
Base-Backbone interact. energy: -0.769
local terms energy: -149.600603
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -38.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -374.324158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.324158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.324158 (E_RNA)
where:
Base-Base interactions energy: -250.063
where: short stacking energy: -121.307
Base-Backbone interact. energy: -0.639
local terms energy: -123.622589
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -18.026
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: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -294.113701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.113701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.113701 (E_RNA)
where:
Base-Base interactions energy: -185.938
where: short stacking energy: -90.389
Base-Backbone interact. energy: -0.913
local terms energy: -107.262260
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -26.857
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -261.543378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.543378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.543378 (E_RNA)
where:
Base-Base interactions energy: -156.172
where: short stacking energy: -79.009
Base-Backbone interact. energy: 0.468
local terms energy: -105.838809
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -16.579
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -158.325264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.325264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.325264 (E_RNA)
where:
Base-Base interactions energy: -61.052
where: short stacking energy: -38.845
Base-Backbone interact. energy: 1.072
local terms energy: -98.345301
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: 0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -145.157756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.157756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.157756 (E_RNA)
where:
Base-Base interactions energy: -57.743
where: short stacking energy: -39.652
Base-Backbone interact. energy: -0.717
local terms energy: -86.698037
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -1.476
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: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -210.245597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.245597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.245597 (E_RNA)
where:
Base-Base interactions energy: -116.359
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.732
local terms energy: -93.154706
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -501.801285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.801285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.801285 (E_RNA)
where:
Base-Base interactions energy: -347.570
where: short stacking energy: -148.833
Base-Backbone interact. energy: -0.374
local terms energy: -153.857723
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -460.373945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.373945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.373945 (E_RNA)
where:
Base-Base interactions energy: -307.157
where: short stacking energy: -125.003
Base-Backbone interact. energy: -0.286
local terms energy: -152.931659
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -25.090
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: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -427.874985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.874985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.874985 (E_RNA)
where:
Base-Base interactions energy: -273.643
where: short stacking energy: -144.300
Base-Backbone interact. energy: -0.175
local terms energy: -154.056229
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -441.887919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.887919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.887919 (E_RNA)
where:
Base-Base interactions energy: -297.297
where: short stacking energy: -133.529
Base-Backbone interact. energy: -0.210
local terms energy: -144.381373
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -38.280
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: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -379.158741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.158741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.158741 (E_RNA)
where:
Base-Base interactions energy: -248.448
where: short stacking energy: -118.079
Base-Backbone interact. energy: -0.245
local terms energy: -130.465722
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -35.677
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: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -306.809785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.809785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.809785 (E_RNA)
where:
Base-Base interactions energy: -196.826
where: short stacking energy: -85.862
Base-Backbone interact. energy: -0.775
local terms energy: -109.209265
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -11.065
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: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -256.407971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.407971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.407971 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -73.173
Base-Backbone interact. energy: -2.753
local terms energy: -108.452987
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -141.635842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.635842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.635842 (E_RNA)
where:
Base-Base interactions energy: -65.446
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.498
local terms energy: -75.692168
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -203.268281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.268281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.268281 (E_RNA)
where:
Base-Base interactions energy: -104.305
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.811
local terms energy: -98.151867
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -12.720
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: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -123.217008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.217008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.217008 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -22.210
Base-Backbone interact. energy: -0.376
local terms energy: -94.419545
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: 0.579
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: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -499.723800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.723800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.723800 (E_RNA)
where:
Base-Base interactions energy: -339.102
where: short stacking energy: -145.587
Base-Backbone interact. energy: -1.036
local terms energy: -159.586194
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -25.589
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: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -459.863207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.863207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.863207 (E_RNA)
where:
Base-Base interactions energy: -311.386
where: short stacking energy: -124.481
Base-Backbone interact. energy: -0.143
local terms energy: -148.333988
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -43.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -421.993220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.993220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.993220 (E_RNA)
where:
Base-Base interactions energy: -280.004
where: short stacking energy: -135.742
Base-Backbone interact. energy: -0.187
local terms energy: -141.801880
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -441.294349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.294349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.294349 (E_RNA)
where:
Base-Base interactions energy: -291.402
where: short stacking energy: -131.624
Base-Backbone interact. energy: 1.082
local terms energy: -150.974005
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -42.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -366.918044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.918044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.918044 (E_RNA)
where:
Base-Base interactions energy: -239.129
where: short stacking energy: -113.288
Base-Backbone interact. energy: -0.140
local terms energy: -127.649268
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -279.144983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.144983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.144983 (E_RNA)
where:
Base-Base interactions energy: -161.253
where: short stacking energy: -74.002
Base-Backbone interact. energy: 1.766
local terms energy: -119.658556
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -16.447
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: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -300.949816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.949816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.949816 (E_RNA)
where:
Base-Base interactions energy: -189.618
where: short stacking energy: -94.246
Base-Backbone interact. energy: 0.011
local terms energy: -111.343186
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -190.801736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.801736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.801736 (E_RNA)
where:
Base-Base interactions energy: -110.286
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.250
local terms energy: -80.266614
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -201.575395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.575395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.575395 (E_RNA)
where:
Base-Base interactions energy: -102.885
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.090
local terms energy: -98.599977
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -145.399757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399757 (E_RNA)
where:
Base-Base interactions energy: -60.553
where: short stacking energy: -49.637
Base-Backbone interact. energy: 0.427
local terms energy: -85.274344
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -499.252390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.252390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.252390 (E_RNA)
where:
Base-Base interactions energy: -347.886
where: short stacking energy: -149.232
Base-Backbone interact. energy: -1.602
local terms energy: -149.764366
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -444.275271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.275271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.275271 (E_RNA)
where:
Base-Base interactions energy: -297.168
where: short stacking energy: -136.829
Base-Backbone interact. energy: -1.401
local terms energy: -145.706327
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -46.218
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -440.025222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.025222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.025222 (E_RNA)
where:
Base-Base interactions energy: -297.069
where: short stacking energy: -131.025
Base-Backbone interact. energy: -0.853
local terms energy: -142.102884
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -38.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -409.535257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.535257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.535257 (E_RNA)
where:
Base-Base interactions energy: -265.320
where: short stacking energy: -129.321
Base-Backbone interact. energy: -0.217
local terms energy: -143.997936
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -22.184
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -369.188385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.188385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.188385 (E_RNA)
where:
Base-Base interactions energy: -231.447
where: short stacking energy: -124.005
Base-Backbone interact. energy: -0.389
local terms energy: -137.352427
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -33.063
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: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -281.038767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.038767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.038767 (E_RNA)
where:
Base-Base interactions energy: -159.825
where: short stacking energy: -82.352
Base-Backbone interact. energy: -0.232
local terms energy: -120.981847
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -21.421
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: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -297.695290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.695290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.695290 (E_RNA)
where:
Base-Base interactions energy: -182.995
where: short stacking energy: -85.973
Base-Backbone interact. energy: -0.049
local terms energy: -114.651546
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -212.125656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.125656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.125656 (E_RNA)
where:
Base-Base interactions energy: -119.109
where: short stacking energy: -72.995
Base-Backbone interact. energy: -0.180
local terms energy: -92.835932
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -189.667397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.667397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.667397 (E_RNA)
where:
Base-Base interactions energy: -92.538
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.600
local terms energy: -96.530242
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -131.855069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.855069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.855069 (E_RNA)
where:
Base-Base interactions energy: -43.195
where: short stacking energy: -29.656
Base-Backbone interact. energy: -0.264
local terms energy: -88.396265
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -501.406495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.406495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.406495 (E_RNA)
where:
Base-Base interactions energy: -343.915
where: short stacking energy: -154.114
Base-Backbone interact. energy: -1.774
local terms energy: -155.717815
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -28.505
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -43.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -468.859324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.859324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.859324 (E_RNA)
where:
Base-Base interactions energy: -308.558
where: short stacking energy: -145.102
Base-Backbone interact. energy: 0.042
local terms energy: -160.343264
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -27.954
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -44.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -440.988007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.988007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.988007 (E_RNA)
where:
Base-Base interactions energy: -294.711
where: short stacking energy: -126.148
Base-Backbone interact. energy: -1.211
local terms energy: -145.066127
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -43.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -398.938128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.938128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.938128 (E_RNA)
where:
Base-Base interactions energy: -257.096
where: short stacking energy: -125.824
Base-Backbone interact. energy: -0.607
local terms energy: -141.234982
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -32.937
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: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -357.540940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.540940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.540940 (E_RNA)
where:
Base-Base interactions energy: -229.122
where: short stacking energy: -115.040
Base-Backbone interact. energy: 1.189
local terms energy: -129.608269
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -27.022
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -28.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -321.160698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.160698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.160698 (E_RNA)
where:
Base-Base interactions energy: -203.780
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.338
local terms energy: -117.043005
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -24.662
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: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -271.204040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.204040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.204040 (E_RNA)
where:
Base-Base interactions energy: -157.217
where: short stacking energy: -81.026
Base-Backbone interact. energy: -0.212
local terms energy: -113.775042
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -24.523
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: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -219.647554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.647554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.647554 (E_RNA)
where:
Base-Base interactions energy: -110.627
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.117
local terms energy: -108.903596
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -12.314
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: 143
Temperature: 1.300000
Total energy: -160.460404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.460404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.460404 (E_RNA)
where:
Base-Base interactions energy: -70.693
where: short stacking energy: -40.037
Base-Backbone interact. energy: -0.616
local terms energy: -89.151284
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: 1.083
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: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -130.855089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.855089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.855089 (E_RNA)
where:
Base-Base interactions energy: -45.492
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.034
local terms energy: -85.328904
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: 4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -501.328468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.328468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.328468 (E_RNA)
where:
Base-Base interactions energy: -343.301
where: short stacking energy: -151.334
Base-Backbone interact. energy: -0.465
local terms energy: -157.562624
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -26.063
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -454.397900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.397900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.397900 (E_RNA)
where:
Base-Base interactions energy: -308.810
where: short stacking energy: -137.825
Base-Backbone interact. energy: -1.810
local terms energy: -143.777671
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -30.518
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -39.074
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: 144
Temperature: 1.000000
Total energy: -438.640193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.640193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.640193 (E_RNA)
where:
Base-Base interactions energy: -285.759
where: short stacking energy: -141.052
Base-Backbone interact. energy: -0.251
local terms energy: -152.630181
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -400.700661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.700661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.700661 (E_RNA)
where:
Base-Base interactions energy: -263.982
where: short stacking energy: -133.234
Base-Backbone interact. energy: -0.316
local terms energy: -136.402302
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -42.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -317.157009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.157009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.157009 (E_RNA)
where:
Base-Base interactions energy: -196.679
where: short stacking energy: -100.836
Base-Backbone interact. energy: -0.257
local terms energy: -120.221066
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -21.213
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: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -353.332814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.332814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.332814 (E_RNA)
where:
Base-Base interactions energy: -229.224
where: short stacking energy: -120.865
Base-Backbone interact. energy: 0.771
local terms energy: -124.879907
where:
bonds (distance) C4'-P energy: -24.527
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -16.063
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -264.960164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.960164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.960164 (E_RNA)
where:
Base-Base interactions energy: -159.159
where: short stacking energy: -84.980
Base-Backbone interact. energy: -0.685
local terms energy: -105.116520
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -18.946
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: 144
Temperature: 1.250000
Total energy: -242.583068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.583068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.583068 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.346
local terms energy: -104.114721
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -155.547015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.547015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.547015 (E_RNA)
where:
Base-Base interactions energy: -68.712
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.174
local terms energy: -86.661178
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -2.559
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: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -133.016497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.016497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.016497 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.641
local terms energy: -88.637763
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -492.675780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.675780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.675780 (E_RNA)
where:
Base-Base interactions energy: -342.543
where: short stacking energy: -141.453
Base-Backbone interact. energy: -1.366
local terms energy: -148.767092
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -33.694
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -42.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -474.306905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.306905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.306905 (E_RNA)
where:
Base-Base interactions energy: -327.324
where: short stacking energy: -144.029
Base-Backbone interact. energy: -1.298
local terms energy: -145.685462
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -42.000
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: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -447.218623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.218623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.218623 (E_RNA)
where:
Base-Base interactions energy: -308.956
where: short stacking energy: -133.330
Base-Backbone interact. energy: 0.003
local terms energy: -138.265744
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -27.772
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -40.022
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: 145
Temperature: 1.050000
Total energy: -406.003923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.003923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.003923 (E_RNA)
where:
Base-Base interactions energy: -264.917
where: short stacking energy: -138.565
Base-Backbone interact. energy: -0.173
local terms energy: -140.914195
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -37.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -306.165740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.165740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.165740 (E_RNA)
where:
Base-Base interactions energy: -196.190
where: short stacking energy: -95.972
Base-Backbone interact. energy: -0.280
local terms energy: -109.695739
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -369.222153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.222153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.222153 (E_RNA)
where:
Base-Base interactions energy: -229.857
where: short stacking energy: -114.337
Base-Backbone interact. energy: 0.584
local terms energy: -139.949523
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -29.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -265.991143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.991143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.991143 (E_RNA)
where:
Base-Base interactions energy: -156.745
where: short stacking energy: -78.443
Base-Backbone interact. energy: -0.120
local terms energy: -109.126273
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -250.121333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.121333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.121333 (E_RNA)
where:
Base-Base interactions energy: -152.933
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.223
local terms energy: -96.964990
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -9.788
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: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -132.274846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.274846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.274846 (E_RNA)
where:
Base-Base interactions energy: -50.610
where: short stacking energy: -32.337
Base-Backbone interact. energy: 0.310
local terms energy: -81.974298
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -27.461
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -138.054549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.054549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.054549 (E_RNA)
where:
Base-Base interactions energy: -61.763
where: short stacking energy: -52.777
Base-Backbone interact. energy: -0.247
local terms energy: -76.044678
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -502.536501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.536501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.536501 (E_RNA)
where:
Base-Base interactions energy: -346.275
where: short stacking energy: -153.593
Base-Backbone interact. energy: -0.308
local terms energy: -155.953787
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -46.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -468.053196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.053196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.053196 (E_RNA)
where:
Base-Base interactions energy: -312.747
where: short stacking energy: -136.023
Base-Backbone interact. energy: -1.070
local terms energy: -154.235902
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -43.704
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: 146
Temperature: 1.000000
Total energy: -434.571310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.571310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.571310 (E_RNA)
where:
Base-Base interactions energy: -295.816
where: short stacking energy: -126.005
Base-Backbone interact. energy: -0.348
local terms energy: -138.407648
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -37.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -400.639681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.639681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.639681 (E_RNA)
where:
Base-Base interactions energy: -253.360
where: short stacking energy: -129.694
Base-Backbone interact. energy: -0.626
local terms energy: -146.654121
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -19.996
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: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -381.055717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.055717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.055717 (E_RNA)
where:
Base-Base interactions energy: -239.335
where: short stacking energy: -118.203
Base-Backbone interact. energy: -0.411
local terms energy: -141.309634
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -36.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -296.374666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.374666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.374666 (E_RNA)
where:
Base-Base interactions energy: -181.161
where: short stacking energy: -103.414
Base-Backbone interact. energy: 1.090
local terms energy: -116.303380
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -289.361315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.361315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.361315 (E_RNA)
where:
Base-Base interactions energy: -180.306
where: short stacking energy: -79.443
Base-Backbone interact. energy: -0.255
local terms energy: -108.800672
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -29.754
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -14.830
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: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -236.015446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.015446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.015446 (E_RNA)
where:
Base-Base interactions energy: -139.984
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.199
local terms energy: -95.832439
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -141.913488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.913488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.913488 (E_RNA)
where:
Base-Base interactions energy: -45.859
where: short stacking energy: -40.367
Base-Backbone interact. energy: -1.276
local terms energy: -94.778729
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: 0.199
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: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -126.473830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.473830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.473830 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -27.126
Base-Backbone interact. energy: -0.263
local terms energy: -88.976016
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: 5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -501.628671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.628671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.628671 (E_RNA)
where:
Base-Base interactions energy: -345.099
where: short stacking energy: -143.823
Base-Backbone interact. energy: -0.724
local terms energy: -155.805678
where:
bonds (distance) C4'-P energy: -33.204
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -41.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -465.293529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.293529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.293529 (E_RNA)
where:
Base-Base interactions energy: -314.024
where: short stacking energy: -138.027
Base-Backbone interact. energy: -0.631
local terms energy: -150.638506
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -15.846
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: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -438.040245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.040245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.040245 (E_RNA)
where:
Base-Base interactions energy: -294.985
where: short stacking energy: -136.399
Base-Backbone interact. energy: 0.117
local terms energy: -143.172074
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -41.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -403.310398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.310398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.310398 (E_RNA)
where:
Base-Base interactions energy: -257.120
where: short stacking energy: -109.838
Base-Backbone interact. energy: -1.007
local terms energy: -145.183073
where:
bonds (distance) C4'-P energy: -28.875
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -34.215
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: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -382.422790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.422790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.422790 (E_RNA)
where:
Base-Base interactions energy: -241.118
where: short stacking energy: -126.530
Base-Backbone interact. energy: -0.690
local terms energy: -140.614463
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -28.536
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -38.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -309.004789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.004789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.004789 (E_RNA)
where:
Base-Base interactions energy: -194.635
where: short stacking energy: -89.530
Base-Backbone interact. energy: -0.303
local terms energy: -114.067329
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -275.490499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.490499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.490499 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -88.109
Base-Backbone interact. energy: -0.340
local terms energy: -110.833182
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -308.562534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.562534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.562534 (E_RNA)
where:
Base-Base interactions energy: -192.953
where: short stacking energy: -105.547
Base-Backbone interact. energy: -0.165
local terms energy: -115.444441
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -152.116056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.116056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.116056 (E_RNA)
where:
Base-Base interactions energy: -58.201
where: short stacking energy: -57.739
Base-Backbone interact. energy: 0.304
local terms energy: -94.218303
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -127.613476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.613476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.613476 (E_RNA)
where:
Base-Base interactions energy: -38.153
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.486
local terms energy: -88.974438
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -496.602181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.602181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.602181 (E_RNA)
where:
Base-Base interactions energy: -338.134
where: short stacking energy: -141.472
Base-Backbone interact. energy: -1.173
local terms energy: -157.294668
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -42.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -457.866066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.866066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.866066 (E_RNA)
where:
Base-Base interactions energy: -313.024
where: short stacking energy: -134.672
Base-Backbone interact. energy: -0.514
local terms energy: -144.327947
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -20.251
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: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -464.679540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.679540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.679540 (E_RNA)
where:
Base-Base interactions energy: -314.661
where: short stacking energy: -139.157
Base-Backbone interact. energy: -1.219
local terms energy: -148.798870
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -44.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -388.485367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.485367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.485367 (E_RNA)
where:
Base-Base interactions energy: -250.839
where: short stacking energy: -124.815
Base-Backbone interact. energy: -0.401
local terms energy: -137.245437
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -39.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -373.457744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.457744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.457744 (E_RNA)
where:
Base-Base interactions energy: -242.794
where: short stacking energy: -115.979
Base-Backbone interact. energy: -0.317
local terms energy: -130.346747
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -31.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -322.358854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.358854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.358854 (E_RNA)
where:
Base-Base interactions energy: -205.344
where: short stacking energy: -99.320
Base-Backbone interact. energy: -1.172
local terms energy: -115.842367
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -18.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -273.555666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.555666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.555666 (E_RNA)
where:
Base-Base interactions energy: -166.488
where: short stacking energy: -74.419
Base-Backbone interact. energy: -1.533
local terms energy: -105.535323
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -215.111917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.111917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.111917 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.217
local terms energy: -100.331560
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -3.498
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: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -141.235797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.235797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.235797 (E_RNA)
where:
Base-Base interactions energy: -52.422
where: short stacking energy: -44.033
Base-Backbone interact. energy: -0.222
local terms energy: -88.591966
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -130.650683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.650683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.650683 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.553
local terms energy: -101.892900
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: 2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -495.496701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.496701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.496701 (E_RNA)
where:
Base-Base interactions energy: -336.172
where: short stacking energy: -142.226
Base-Backbone interact. energy: -1.511
local terms energy: -157.814378
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -42.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -463.722719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.722719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.722719 (E_RNA)
where:
Base-Base interactions energy: -321.755
where: short stacking energy: -139.312
Base-Backbone interact. energy: 2.276
local terms energy: -144.243698
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -44.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -457.815578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.815578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.815578 (E_RNA)
where:
Base-Base interactions energy: -301.681
where: short stacking energy: -116.569
Base-Backbone interact. energy: -0.426
local terms energy: -155.708705
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -44.117
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -407.048805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.048805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.048805 (E_RNA)
where:
Base-Base interactions energy: -252.818
where: short stacking energy: -132.147
Base-Backbone interact. energy: -0.133
local terms energy: -154.097713
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -33.881
flat angles C4'-P-C4' energy: -29.170
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -43.993
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: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -371.929701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.929701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.929701 (E_RNA)
where:
Base-Base interactions energy: -251.055
where: short stacking energy: -99.835
Base-Backbone interact. energy: -0.223
local terms energy: -120.652292
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -30.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -327.957855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.957855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.957855 (E_RNA)
where:
Base-Base interactions energy: -207.913
where: short stacking energy: -92.426
Base-Backbone interact. energy: -0.255
local terms energy: -119.789050
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -29.515
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -27.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -255.515257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.515257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.515257 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -66.163
Base-Backbone interact. energy: 0.375
local terms energy: -114.893802
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -12.580
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: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -206.524875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.524875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.524875 (E_RNA)
where:
Base-Base interactions energy: -111.694
where: short stacking energy: -49.899
Base-Backbone interact. energy: -0.575
local terms energy: -94.255398
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -6.830
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: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -186.463846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.463846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.463846 (E_RNA)
where:
Base-Base interactions energy: -97.810
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.601
local terms energy: -88.052318
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -142.156648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.156648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.156648 (E_RNA)
where:
Base-Base interactions energy: -61.608
where: short stacking energy: -31.039
Base-Backbone interact. energy: -1.100
local terms energy: -79.448321
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -471.605554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.605554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.605554 (E_RNA)
where:
Base-Base interactions energy: -325.206
where: short stacking energy: -141.824
Base-Backbone interact. energy: -1.394
local terms energy: -145.005605
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -21.916
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: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -486.587079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.587079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.587079 (E_RNA)
where:
Base-Base interactions energy: -332.499
where: short stacking energy: -137.955
Base-Backbone interact. energy: -1.829
local terms energy: -152.258615
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -474.781863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.781863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.781863 (E_RNA)
where:
Base-Base interactions energy: -322.796
where: short stacking energy: -130.713
Base-Backbone interact. energy: -0.682
local terms energy: -151.303825
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -43.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -412.192573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.192573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.192573 (E_RNA)
where:
Base-Base interactions energy: -270.184
where: short stacking energy: -132.592
Base-Backbone interact. energy: 0.328
local terms energy: -142.337074
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -38.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -340.553147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.553147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.553147 (E_RNA)
where:
Base-Base interactions energy: -228.506
where: short stacking energy: -105.468
Base-Backbone interact. energy: 1.123
local terms energy: -113.169997
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -384.327277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.327277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.327277 (E_RNA)
where:
Base-Base interactions energy: -249.282
where: short stacking energy: -133.773
Base-Backbone interact. energy: 0.678
local terms energy: -135.723575
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -38.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -227.804975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.804975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.804975 (E_RNA)
where:
Base-Base interactions energy: -130.019
where: short stacking energy: -74.125
Base-Backbone interact. energy: 0.737
local terms energy: -98.522742
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -12.035
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: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -284.710529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.710529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.710529 (E_RNA)
where:
Base-Base interactions energy: -170.169
where: short stacking energy: -78.002
Base-Backbone interact. energy: -0.433
local terms energy: -114.107819
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -25.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -186.745815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.745815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.745815 (E_RNA)
where:
Base-Base interactions energy: -99.570
where: short stacking energy: -58.429
Base-Backbone interact. energy: -1.828
local terms energy: -85.348360
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -1.688
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: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -135.454618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.454618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.454618 (E_RNA)
where:
Base-Base interactions energy: -46.570
where: short stacking energy: -45.642
Base-Backbone interact. energy: -0.398
local terms energy: -88.486620
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: 2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -483.101888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.101888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.101888 (E_RNA)
where:
Base-Base interactions energy: -322.939
where: short stacking energy: -148.084
Base-Backbone interact. energy: 1.438
local terms energy: -161.600977
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -44.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -484.816889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.816889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.816889 (E_RNA)
where:
Base-Base interactions energy: -325.230
where: short stacking energy: -146.756
Base-Backbone interact. energy: -0.072
local terms energy: -159.515256
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -459.820569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.820569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.820569 (E_RNA)
where:
Base-Base interactions energy: -318.124
where: short stacking energy: -129.695
Base-Backbone interact. energy: 0.090
local terms energy: -141.786334
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -40.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -388.729078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.729078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.729078 (E_RNA)
where:
Base-Base interactions energy: -255.984
where: short stacking energy: -125.888
Base-Backbone interact. energy: -0.120
local terms energy: -132.625499
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: -33.680
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: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -358.914738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.914738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.914738 (E_RNA)
where:
Base-Base interactions energy: -221.627
where: short stacking energy: -103.964
Base-Backbone interact. energy: -0.424
local terms energy: -136.863653
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -374.350226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.350226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.350226 (E_RNA)
where:
Base-Base interactions energy: -240.013
where: short stacking energy: -124.267
Base-Backbone interact. energy: -0.018
local terms energy: -134.318952
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -213.652084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.652084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.652084 (E_RNA)
where:
Base-Base interactions energy: -114.324
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.300
local terms energy: -99.028091
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -306.865408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.865408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.865408 (E_RNA)
where:
Base-Base interactions energy: -188.719
where: short stacking energy: -94.390
Base-Backbone interact. energy: -0.836
local terms energy: -117.309730
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -29.345
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -22.526
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: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -131.254036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.254036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.254036 (E_RNA)
where:
Base-Base interactions energy: -56.013
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.216
local terms energy: -75.024934
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -128.533115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.533115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.533115 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.321
local terms energy: -86.574690
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -33.137
flat angles C4'-P-C4' energy: -26.759
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -485.385731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.385731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.385731 (E_RNA)
where:
Base-Base interactions energy: -335.941
where: short stacking energy: -146.048
Base-Backbone interact. energy: 2.711
local terms energy: -152.155407
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -48.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -471.278072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.278072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.278072 (E_RNA)
where:
Base-Base interactions energy: -317.582
where: short stacking energy: -139.153
Base-Backbone interact. energy: -0.073
local terms energy: -153.623247
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -46.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -457.451154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.451154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.451154 (E_RNA)
where:
Base-Base interactions energy: -315.758
where: short stacking energy: -129.312
Base-Backbone interact. energy: -0.711
local terms energy: -140.982358
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -43.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -424.575914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.575914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.575914 (E_RNA)
where:
Base-Base interactions energy: -287.600
where: short stacking energy: -126.771
Base-Backbone interact. energy: -0.111
local terms energy: -136.864717
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -19.542
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -398.291548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.291548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.291548 (E_RNA)
where:
Base-Base interactions energy: -258.785
where: short stacking energy: -121.791
Base-Backbone interact. energy: 0.625
local terms energy: -140.131035
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -39.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -365.467449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.467449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.467449 (E_RNA)
where:
Base-Base interactions energy: -234.503
where: short stacking energy: -94.209
Base-Backbone interact. energy: -0.528
local terms energy: -130.435882
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -18.923
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: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -326.484729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.484729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.484729 (E_RNA)
where:
Base-Base interactions energy: -216.652
where: short stacking energy: -111.993
Base-Backbone interact. energy: -0.346
local terms energy: -109.486752
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -211.279461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.279461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.279461 (E_RNA)
where:
Base-Base interactions energy: -106.030
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.562
local terms energy: -104.688012
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -142.017982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.017982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.017982 (E_RNA)
where:
Base-Base interactions energy: -50.670
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.297
local terms energy: -91.051212
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -134.947212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.947212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.947212 (E_RNA)
where:
Base-Base interactions energy: -55.137
where: short stacking energy: -45.672
Base-Backbone interact. energy: -0.090
local terms energy: -79.720169
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -488.196071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.196071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.196071 (E_RNA)
where:
Base-Base interactions energy: -332.362
where: short stacking energy: -144.499
Base-Backbone interact. energy: -2.180
local terms energy: -153.653671
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -40.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -465.953224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.953224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.953224 (E_RNA)
where:
Base-Base interactions energy: -315.179
where: short stacking energy: -117.348
Base-Backbone interact. energy: -0.143
local terms energy: -150.631691
where:
bonds (distance) C4'-P energy: -32.960
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -40.452
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: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -460.336468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.336468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.336468 (E_RNA)
where:
Base-Base interactions energy: -303.588
where: short stacking energy: -140.731
Base-Backbone interact. energy: -0.639
local terms energy: -156.110178
where:
bonds (distance) C4'-P energy: -33.296
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -42.725
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: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -396.661969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.661969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.661969 (E_RNA)
where:
Base-Base interactions energy: -256.504
where: short stacking energy: -120.245
Base-Backbone interact. energy: -0.672
local terms energy: -139.485860
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -33.780
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: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -402.174451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.174451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.174451 (E_RNA)
where:
Base-Base interactions energy: -270.061
where: short stacking energy: -113.226
Base-Backbone interact. energy: -1.677
local terms energy: -130.436921
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -29.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -360.181518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.181518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.181518 (E_RNA)
where:
Base-Base interactions energy: -232.159
where: short stacking energy: -111.354
Base-Backbone interact. energy: -0.084
local terms energy: -127.938702
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -13.102
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: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -318.218718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.218718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.218718 (E_RNA)
where:
Base-Base interactions energy: -199.560
where: short stacking energy: -95.558
Base-Backbone interact. energy: 1.078
local terms energy: -119.736507
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -197.642330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.642330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.642330 (E_RNA)
where:
Base-Base interactions energy: -107.117
where: short stacking energy: -45.398
Base-Backbone interact. energy: -1.101
local terms energy: -89.424344
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -203.670127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.670127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.670127 (E_RNA)
where:
Base-Base interactions energy: -105.060
where: short stacking energy: -54.053
Base-Backbone interact. energy: -1.443
local terms energy: -97.167177
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -125.988459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.988459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.988459 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -34.288
Base-Backbone interact. energy: 0.064
local terms energy: -87.587470
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -485.998624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.998624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.998624 (E_RNA)
where:
Base-Base interactions energy: -339.565
where: short stacking energy: -141.410
Base-Backbone interact. energy: -1.461
local terms energy: -144.972648
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -41.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -454.834478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.834478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.834478 (E_RNA)
where:
Base-Base interactions energy: -298.669
where: short stacking energy: -125.621
Base-Backbone interact. energy: -1.063
local terms energy: -155.101805
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -21.760
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: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -438.095014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.095014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.095014 (E_RNA)
where:
Base-Base interactions energy: -299.763
where: short stacking energy: -136.836
Base-Backbone interact. energy: -1.470
local terms energy: -136.861586
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -37.364
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -403.575378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.575378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.575378 (E_RNA)
where:
Base-Base interactions energy: -265.180
where: short stacking energy: -134.532
Base-Backbone interact. energy: -0.238
local terms energy: -138.157297
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -43.459
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: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -384.230298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.230298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.230298 (E_RNA)
where:
Base-Base interactions energy: -244.240
where: short stacking energy: -118.548
Base-Backbone interact. energy: -0.236
local terms energy: -139.754417
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -343.981504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.981504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.981504 (E_RNA)
where:
Base-Base interactions energy: -212.146
where: short stacking energy: -106.845
Base-Backbone interact. energy: -0.061
local terms energy: -131.774423
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -238.519415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.519415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.519415 (E_RNA)
where:
Base-Base interactions energy: -135.269
where: short stacking energy: -61.997
Base-Backbone interact. energy: -2.865
local terms energy: -100.385768
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -151.629474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.629474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.629474 (E_RNA)
where:
Base-Base interactions energy: -57.016
where: short stacking energy: -54.298
Base-Backbone interact. energy: 3.401
local terms energy: -98.014413
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -198.239994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.239994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.239994 (E_RNA)
where:
Base-Base interactions energy: -114.117
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.564
local terms energy: -83.559848
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -135.535286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.535286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.535286 (E_RNA)
where:
Base-Base interactions energy: -67.780
where: short stacking energy: -50.801
Base-Backbone interact. energy: 0.878
local terms energy: -68.633730
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: 4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -485.264991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.264991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.264991 (E_RNA)
where:
Base-Base interactions energy: -335.179
where: short stacking energy: -134.922
Base-Backbone interact. energy: -1.542
local terms energy: -148.544063
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -43.409
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: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -478.650777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.650777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.650777 (E_RNA)
where:
Base-Base interactions energy: -319.806
where: short stacking energy: -131.613
Base-Backbone interact. energy: -0.349
local terms energy: -158.495251
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -32.221
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -22.993
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: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -452.559900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.559900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.559900 (E_RNA)
where:
Base-Base interactions energy: -317.152
where: short stacking energy: -135.615
Base-Backbone interact. energy: 1.033
local terms energy: -136.441523
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -30.449
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -38.213
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: 155
Temperature: 1.050000
Total energy: -423.312230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.312230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.312230 (E_RNA)
where:
Base-Base interactions energy: -278.658
where: short stacking energy: -130.078
Base-Backbone interact. energy: -0.637
local terms energy: -144.016993
where:
bonds (distance) C4'-P energy: -34.038
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -32.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -377.996734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.996734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.996734 (E_RNA)
where:
Base-Base interactions energy: -244.321
where: short stacking energy: -126.262
Base-Backbone interact. energy: -0.037
local terms energy: -133.638237
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -31.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -332.725655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.725655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.725655 (E_RNA)
where:
Base-Base interactions energy: -209.745
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.128
local terms energy: -122.852883
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -277.467707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.467707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.467707 (E_RNA)
where:
Base-Base interactions energy: -167.399
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.304
local terms energy: -109.765225
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -164.065829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.065829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.065829 (E_RNA)
where:
Base-Base interactions energy: -65.262
where: short stacking energy: -54.342
Base-Backbone interact. energy: 0.201
local terms energy: -99.004114
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -149.181820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.181820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.181820 (E_RNA)
where:
Base-Base interactions energy: -58.525
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.101
local terms energy: -90.555140
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -27.675
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -114.563109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.563109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.563109 (E_RNA)
where:
Base-Base interactions energy: -47.909
where: short stacking energy: -24.976
Base-Backbone interact. energy: -1.384
local terms energy: -65.270866
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: 12.093
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -467.087919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.087919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.087919 (E_RNA)
where:
Base-Base interactions energy: -311.891
where: short stacking energy: -128.098
Base-Backbone interact. energy: -0.264
local terms energy: -154.932982
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -43.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -463.822858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.822858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.822858 (E_RNA)
where:
Base-Base interactions energy: -312.752
where: short stacking energy: -130.984
Base-Backbone interact. energy: -1.593
local terms energy: -149.477292
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -26.805
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -37.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -458.482847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.482847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.482847 (E_RNA)
where:
Base-Base interactions energy: -316.709
where: short stacking energy: -132.703
Base-Backbone interact. energy: 0.592
local terms energy: -142.365479
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -43.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -399.272039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.272039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.272039 (E_RNA)
where:
Base-Base interactions energy: -258.859
where: short stacking energy: -123.190
Base-Backbone interact. energy: -0.099
local terms energy: -140.313901
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -38.002
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: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -381.929523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.929523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.929523 (E_RNA)
where:
Base-Base interactions energy: -252.757
where: short stacking energy: -115.106
Base-Backbone interact. energy: 0.016
local terms energy: -129.188646
where:
bonds (distance) C4'-P energy: -26.492
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -32.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -327.673670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.673670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.673670 (E_RNA)
where:
Base-Base interactions energy: -205.129
where: short stacking energy: -93.694
Base-Backbone interact. energy: -0.161
local terms energy: -122.383769
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -25.883
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -287.866361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.866361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.866361 (E_RNA)
where:
Base-Base interactions energy: -173.755
where: short stacking energy: -82.152
Base-Backbone interact. energy: -0.183
local terms energy: -113.927747
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -22.193
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: 156
Temperature: 1.250000
Total energy: -184.961126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.961126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.961126 (E_RNA)
where:
Base-Base interactions energy: -95.208
where: short stacking energy: -65.093
Base-Backbone interact. energy: 3.236
local terms energy: -92.989441
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -6.834
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: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -134.371472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.371472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.371472 (E_RNA)
where:
Base-Base interactions energy: -48.547
where: short stacking energy: -36.750
Base-Backbone interact. energy: -0.467
local terms energy: -85.357711
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -29.955
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -127.133057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.133057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.133057 (E_RNA)
where:
Base-Base interactions energy: -38.257
where: short stacking energy: -27.905
Base-Backbone interact. energy: -0.391
local terms energy: -88.484771
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: 3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -463.522160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.522160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.522160 (E_RNA)
where:
Base-Base interactions energy: -319.067
where: short stacking energy: -122.418
Base-Backbone interact. energy: -0.143
local terms energy: -144.312138
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -36.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -466.187040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.187040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.187040 (E_RNA)
where:
Base-Base interactions energy: -325.558
where: short stacking energy: -143.072
Base-Backbone interact. energy: 0.641
local terms energy: -141.270292
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -39.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -449.727660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.727660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.727660 (E_RNA)
where:
Base-Base interactions energy: -304.375
where: short stacking energy: -132.857
Base-Backbone interact. energy: -0.422
local terms energy: -144.930112
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -43.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -401.376353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.376353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.376353 (E_RNA)
where:
Base-Base interactions energy: -259.038
where: short stacking energy: -120.417
Base-Backbone interact. energy: 0.461
local terms energy: -142.798938
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -33.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -383.762754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.762754 (E_RNA)
where:
Base-Base interactions energy: -239.823
where: short stacking energy: -122.141
Base-Backbone interact. energy: 0.576
local terms energy: -144.515796
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -35.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -295.054569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.054569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.054569 (E_RNA)
where:
Base-Base interactions energy: -169.286
where: short stacking energy: -84.510
Base-Backbone interact. energy: -0.063
local terms energy: -125.705414
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -22.124
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: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -298.037265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.037265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.037265 (E_RNA)
where:
Base-Base interactions energy: -184.172
where: short stacking energy: -90.799
Base-Backbone interact. energy: -0.203
local terms energy: -113.662545
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -174.045561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.045561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.045561 (E_RNA)
where:
Base-Base interactions energy: -77.838
where: short stacking energy: -58.687
Base-Backbone interact. energy: 0.453
local terms energy: -96.660899
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -8.051
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: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -150.049030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.049030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.049030 (E_RNA)
where:
Base-Base interactions energy: -58.133
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.369
local terms energy: -91.547869
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -151.434511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.434511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.434511 (E_RNA)
where:
Base-Base interactions energy: -61.993
where: short stacking energy: -46.594
Base-Backbone interact. energy: -0.215
local terms energy: -89.226686
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -471.378167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.378167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.378167 (E_RNA)
where:
Base-Base interactions energy: -312.625
where: short stacking energy: -136.974
Base-Backbone interact. energy: -0.611
local terms energy: -158.142280
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -31.710
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -468.106641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.106641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.106641 (E_RNA)
where:
Base-Base interactions energy: -310.888
where: short stacking energy: -138.417
Base-Backbone interact. energy: -1.308
local terms energy: -155.910183
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -42.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -451.881375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.881375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.881375 (E_RNA)
where:
Base-Base interactions energy: -313.352
where: short stacking energy: -130.951
Base-Backbone interact. energy: -0.372
local terms energy: -138.156926
where:
bonds (distance) C4'-P energy: -25.015
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -36.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -389.197581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.197581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.197581 (E_RNA)
where:
Base-Base interactions energy: -254.169
where: short stacking energy: -123.291
Base-Backbone interact. energy: -0.172
local terms energy: -134.856831
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -32.080
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: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -400.184865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.184865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.184865 (E_RNA)
where:
Base-Base interactions energy: -262.984
where: short stacking energy: -133.483
Base-Backbone interact. energy: -0.619
local terms energy: -136.582189
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -38.003
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: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -282.452859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.452859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.452859 (E_RNA)
where:
Base-Base interactions energy: -173.869
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.335
local terms energy: -108.248484
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -24.927
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: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -334.420569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.420569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.420569 (E_RNA)
where:
Base-Base interactions energy: -208.560
where: short stacking energy: -103.061
Base-Backbone interact. energy: -0.244
local terms energy: -125.616311
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -27.039
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: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -180.812417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.812417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.812417 (E_RNA)
where:
Base-Base interactions energy: -77.879
where: short stacking energy: -50.618
Base-Backbone interact. energy: 0.214
local terms energy: -103.147708
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -141.726016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.726016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.726016 (E_RNA)
where:
Base-Base interactions energy: -53.272
where: short stacking energy: -48.409
Base-Backbone interact. energy: 0.129
local terms energy: -88.583064
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -141.982195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.982195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.982195 (E_RNA)
where:
Base-Base interactions energy: -61.865
where: short stacking energy: -53.389
Base-Backbone interact. energy: 1.654
local terms energy: -81.771371
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -474.876015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.876015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.876015 (E_RNA)
where:
Base-Base interactions energy: -320.290
where: short stacking energy: -135.921
Base-Backbone interact. energy: -0.335
local terms energy: -154.250879
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: -45.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -477.195953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.195953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.195953 (E_RNA)
where:
Base-Base interactions energy: -320.356
where: short stacking energy: -140.494
Base-Backbone interact. energy: 0.308
local terms energy: -157.148186
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -43.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -447.501510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.501510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.501510 (E_RNA)
where:
Base-Base interactions energy: -307.256
where: short stacking energy: -123.891
Base-Backbone interact. energy: -0.780
local terms energy: -139.465767
where:
bonds (distance) C4'-P energy: -27.038
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -31.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -409.808532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.808532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.808532 (E_RNA)
where:
Base-Base interactions energy: -270.357
where: short stacking energy: -127.029
Base-Backbone interact. energy: -0.144
local terms energy: -139.307966
where:
bonds (distance) C4'-P energy: -25.848
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -37.750
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: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -373.846884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.846884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.846884 (E_RNA)
where:
Base-Base interactions energy: -241.959
where: short stacking energy: -113.581
Base-Backbone interact. energy: -0.393
local terms energy: -131.494532
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -30.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -385.795629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.795629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.795629 (E_RNA)
where:
Base-Base interactions energy: -252.020
where: short stacking energy: -116.747
Base-Backbone interact. energy: -0.089
local terms energy: -133.687503
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -35.973
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: 159
Temperature: 1.200000
Total energy: -289.475932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.475932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.475932 (E_RNA)
where:
Base-Base interactions energy: -195.686
where: short stacking energy: -94.336
Base-Backbone interact. energy: -0.387
local terms energy: -93.402308
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -15.521
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: 159
Temperature: 1.250000
Total energy: -146.275611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.275611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.275611 (E_RNA)
where:
Base-Base interactions energy: -48.390
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.076
local terms energy: -97.809288
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -5.876
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -153.860126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.860126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.860126 (E_RNA)
where:
Base-Base interactions energy: -63.360
where: short stacking energy: -45.367
Base-Backbone interact. energy: -0.493
local terms energy: -90.007548
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -126.606922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.606922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.606922 (E_RNA)
where:
Base-Base interactions energy: -43.086
where: short stacking energy: -24.317
Base-Backbone interact. energy: 0.387
local terms energy: -83.907839
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: 4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -470.989878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.989878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.989878 (E_RNA)
where:
Base-Base interactions energy: -325.760
where: short stacking energy: -141.055
Base-Backbone interact. energy: -0.298
local terms energy: -144.932220
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -39.200
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: 160
Temperature: 0.950000
Total energy: -466.959251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.959251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.959251 (E_RNA)
where:
Base-Base interactions energy: -310.438
where: short stacking energy: -134.029
Base-Backbone interact. energy: -1.335
local terms energy: -155.186396
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -45.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -462.800059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.800059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.800059 (E_RNA)
where:
Base-Base interactions energy: -326.097
where: short stacking energy: -131.693
Base-Backbone interact. energy: 0.884
local terms energy: -137.587068
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -25.270
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -37.253
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: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -398.252427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.252427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.252427 (E_RNA)
where:
Base-Base interactions energy: -254.822
where: short stacking energy: -129.916
Base-Backbone interact. energy: -0.143
local terms energy: -143.288141
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -23.221
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: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -366.821314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.821314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.821314 (E_RNA)
where:
Base-Base interactions energy: -217.592
where: short stacking energy: -111.451
Base-Backbone interact. energy: -0.111
local terms energy: -149.118733
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -32.159
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -32.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -356.313322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.313322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.313322 (E_RNA)
where:
Base-Base interactions energy: -237.240
where: short stacking energy: -121.312
Base-Backbone interact. energy: 0.329
local terms energy: -119.402580
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -29.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -293.806164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.806164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.806164 (E_RNA)
where:
Base-Base interactions energy: -193.800
where: short stacking energy: -82.964
Base-Backbone interact. energy: -0.283
local terms energy: -99.723546
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -148.792292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.792292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.792292 (E_RNA)
where:
Base-Base interactions energy: -63.219
where: short stacking energy: -37.900
Base-Backbone interact. energy: 0.978
local terms energy: -86.551785
where:
bonds (distance) C4'-P energy: -26.972
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: 4.040
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -149.965585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.965585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.965585 (E_RNA)
where:
Base-Base interactions energy: -65.631
where: short stacking energy: -44.226
Base-Backbone interact. energy: -0.473
local terms energy: -83.861905
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -145.293379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.293379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.293379 (E_RNA)
where:
Base-Base interactions energy: -44.757
where: short stacking energy: -44.957
Base-Backbone interact. energy: 0.067
local terms energy: -100.603279
where:
bonds (distance) C4'-P energy: -27.145
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -468.453268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.453268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.453268 (E_RNA)
where:
Base-Base interactions energy: -315.323
where: short stacking energy: -144.424
Base-Backbone interact. energy: -1.028
local terms energy: -152.102087
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -41.513
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: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -468.381968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.381968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.381968 (E_RNA)
where:
Base-Base interactions energy: -311.135
where: short stacking energy: -143.123
Base-Backbone interact. energy: -0.013
local terms energy: -157.233774
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -45.575
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: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -463.413661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.413661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.413661 (E_RNA)
where:
Base-Base interactions energy: -317.907
where: short stacking energy: -129.364
Base-Backbone interact. energy: 1.409
local terms energy: -146.916177
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -43.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -392.947115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.947115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.947115 (E_RNA)
where:
Base-Base interactions energy: -242.740
where: short stacking energy: -120.421
Base-Backbone interact. energy: -0.148
local terms energy: -150.058231
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -36.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -397.738617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.738617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.738617 (E_RNA)
where:
Base-Base interactions energy: -264.788
where: short stacking energy: -119.371
Base-Backbone interact. energy: -0.251
local terms energy: -132.699455
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -352.813406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.813406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.813406 (E_RNA)
where:
Base-Base interactions energy: -230.850
where: short stacking energy: -117.602
Base-Backbone interact. energy: -0.037
local terms energy: -121.925617
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -32.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -291.238603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.238603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.238603 (E_RNA)
where:
Base-Base interactions energy: -174.160
where: short stacking energy: -90.593
Base-Backbone interact. energy: 0.880
local terms energy: -117.958292
where:
bonds (distance) C4'-P energy: -26.435
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -174.762402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.762402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.762402 (E_RNA)
where:
Base-Base interactions energy: -68.760
where: short stacking energy: -53.172
Base-Backbone interact. energy: -2.043
local terms energy: -103.959696
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -32.746
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -162.320924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.320924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.320924 (E_RNA)
where:
Base-Base interactions energy: -77.795
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.752
local terms energy: -83.773937
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -124.586747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.586747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.586747 (E_RNA)
where:
Base-Base interactions energy: -39.786
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.304
local terms energy: -84.496588
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: 1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -484.283335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.283335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.283335 (E_RNA)
where:
Base-Base interactions energy: -331.052
where: short stacking energy: -141.746
Base-Backbone interact. energy: -1.795
local terms energy: -151.435823
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -43.657
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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -472.958745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.958745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.958745 (E_RNA)
where:
Base-Base interactions energy: -330.229
where: short stacking energy: -142.979
Base-Backbone interact. energy: -1.346
local terms energy: -141.384163
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -44.185
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: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -454.830566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.830566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.830566 (E_RNA)
where:
Base-Base interactions energy: -317.969
where: short stacking energy: -136.196
Base-Backbone interact. energy: -1.144
local terms energy: -135.718421
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -17.668
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: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -383.525644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.525644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.525644 (E_RNA)
where:
Base-Base interactions energy: -242.366
where: short stacking energy: -118.360
Base-Backbone interact. energy: -0.690
local terms energy: -140.469814
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -31.658
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: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -379.732730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.732730 (E_RNA)
where:
Base-Base interactions energy: -253.985
where: short stacking energy: -123.572
Base-Backbone interact. energy: 0.000
local terms energy: -125.747951
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -33.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -381.452772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.452772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.452772 (E_RNA)
where:
Base-Base interactions energy: -241.781
where: short stacking energy: -109.115
Base-Backbone interact. energy: -0.203
local terms energy: -139.468852
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -20.422
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: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -263.311253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.311253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.311253 (E_RNA)
where:
Base-Base interactions energy: -151.407
where: short stacking energy: -70.751
Base-Backbone interact. energy: -0.236
local terms energy: -111.668317
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -151.000269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.000269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.000269 (E_RNA)
where:
Base-Base interactions energy: -55.427
where: short stacking energy: -45.248
Base-Backbone interact. energy: -0.488
local terms energy: -95.085256
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -27.316
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -142.698232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.698232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.698232 (E_RNA)
where:
Base-Base interactions energy: -56.702
where: short stacking energy: -42.359
Base-Backbone interact. energy: 1.091
local terms energy: -87.086478
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: 0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -120.382278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.382278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.382278 (E_RNA)
where:
Base-Base interactions energy: -43.828
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.454
local terms energy: -76.100084
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: 4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -472.767071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.767071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.767071 (E_RNA)
where:
Base-Base interactions energy: -320.772
where: short stacking energy: -140.854
Base-Backbone interact. energy: -0.662
local terms energy: -151.332694
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -18.298
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: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -469.049766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.049766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.049766 (E_RNA)
where:
Base-Base interactions energy: -322.879
where: short stacking energy: -131.151
Base-Backbone interact. energy: -0.427
local terms energy: -145.744376
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -36.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -462.150548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.150548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.150548 (E_RNA)
where:
Base-Base interactions energy: -309.641
where: short stacking energy: -133.250
Base-Backbone interact. energy: -0.699
local terms energy: -151.810941
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -44.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -405.699240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.699240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.699240 (E_RNA)
where:
Base-Base interactions energy: -266.010
where: short stacking energy: -117.806
Base-Backbone interact. energy: 1.243
local terms energy: -140.932599
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -40.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -368.543864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.543864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.543864 (E_RNA)
where:
Base-Base interactions energy: -221.773
where: short stacking energy: -110.363
Base-Backbone interact. energy: -0.158
local terms energy: -146.613722
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -34.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -393.183967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.183967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.183967 (E_RNA)
where:
Base-Base interactions energy: -244.682
where: short stacking energy: -107.331
Base-Backbone interact. energy: -0.597
local terms energy: -147.905277
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -265.578201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.578201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.578201 (E_RNA)
where:
Base-Base interactions energy: -163.492
where: short stacking energy: -92.074
Base-Backbone interact. energy: -1.117
local terms energy: -100.969843
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -182.152006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.152006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.152006 (E_RNA)
where:
Base-Base interactions energy: -90.216
where: short stacking energy: -69.366
Base-Backbone interact. energy: 0.018
local terms energy: -91.954731
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -11.120
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: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -159.155977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.155977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.155977 (E_RNA)
where:
Base-Base interactions energy: -64.737
where: short stacking energy: -64.737
Base-Backbone interact. energy: -0.301
local terms energy: -94.118072
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -133.822791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.822791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.822791 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -37.826
Base-Backbone interact. energy: -0.678
local terms energy: -87.147632
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: 4.625
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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -479.018525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.018525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.018525 (E_RNA)
where:
Base-Base interactions energy: -331.151
where: short stacking energy: -133.980
Base-Backbone interact. energy: 0.001
local terms energy: -147.868105
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -35.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -473.140441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.140441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.140441 (E_RNA)
where:
Base-Base interactions energy: -319.862
where: short stacking energy: -132.084
Base-Backbone interact. energy: 1.206
local terms energy: -154.484787
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -27.453
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -454.398132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.398132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.398132 (E_RNA)
where:
Base-Base interactions energy: -305.442
where: short stacking energy: -141.376
Base-Backbone interact. energy: 1.241
local terms energy: -150.197581
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -42.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -396.488419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.488419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.488419 (E_RNA)
where:
Base-Base interactions energy: -256.159
where: short stacking energy: -124.093
Base-Backbone interact. energy: -0.256
local terms energy: -140.073921
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -33.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -396.939374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.939374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.939374 (E_RNA)
where:
Base-Base interactions energy: -254.449
where: short stacking energy: -125.911
Base-Backbone interact. energy: -1.042
local terms energy: -141.448705
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -30.304
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -36.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -385.362435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.362435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.362435 (E_RNA)
where:
Base-Base interactions energy: -250.219
where: short stacking energy: -124.107
Base-Backbone interact. energy: -0.362
local terms energy: -134.782140
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -32.407
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -267.920082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.920082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.920082 (E_RNA)
where:
Base-Base interactions energy: -171.003
where: short stacking energy: -71.162
Base-Backbone interact. energy: 0.109
local terms energy: -97.026113
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -161.502604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.502604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.502604 (E_RNA)
where:
Base-Base interactions energy: -71.810
where: short stacking energy: -47.719
Base-Backbone interact. energy: -0.526
local terms energy: -89.166332
where:
bonds (distance) C4'-P energy: -28.875
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -138.731169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.731169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.731169 (E_RNA)
where:
Base-Base interactions energy: -45.328
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.494
local terms energy: -92.909104
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -140.761046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.761046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.761046 (E_RNA)
where:
Base-Base interactions energy: -52.432
where: short stacking energy: -41.311
Base-Backbone interact. energy: -1.863
local terms energy: -86.465849
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: 3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -476.405092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.405092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.405092 (E_RNA)
where:
Base-Base interactions energy: -326.035
where: short stacking energy: -128.115
Base-Backbone interact. energy: 0.029
local terms energy: -150.399082
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -37.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -472.336855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.336855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.336855 (E_RNA)
where:
Base-Base interactions energy: -324.594
where: short stacking energy: -133.518
Base-Backbone interact. energy: -1.052
local terms energy: -146.690992
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -20.077
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: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -459.882778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.882778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.882778 (E_RNA)
where:
Base-Base interactions energy: -317.960
where: short stacking energy: -140.036
Base-Backbone interact. energy: -0.975
local terms energy: -140.947566
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -39.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -391.168594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.168594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.168594 (E_RNA)
where:
Base-Base interactions energy: -255.557
where: short stacking energy: -130.620
Base-Backbone interact. energy: -0.174
local terms energy: -135.437487
where:
bonds (distance) C4'-P energy: -27.676
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -33.822
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: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -372.322104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.322104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.322104 (E_RNA)
where:
Base-Base interactions energy: -236.652
where: short stacking energy: -118.787
Base-Backbone interact. energy: -0.615
local terms energy: -135.054979
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -22.459
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: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -359.882518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.882518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.882518 (E_RNA)
where:
Base-Base interactions energy: -235.222
where: short stacking energy: -112.831
Base-Backbone interact. energy: -0.757
local terms energy: -123.903317
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -34.428
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: 165
Temperature: 1.200000
Total energy: -272.936414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.936414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.936414 (E_RNA)
where:
Base-Base interactions energy: -162.997
where: short stacking energy: -75.354
Base-Backbone interact. energy: -0.071
local terms energy: -109.867976
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -151.877335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.877335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.877335 (E_RNA)
where:
Base-Base interactions energy: -61.325
where: short stacking energy: -40.185
Base-Backbone interact. energy: 0.326
local terms energy: -90.878782
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -3.485
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: 165
Temperature: 1.300000
Total energy: -133.241937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.241937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.241937 (E_RNA)
where:
Base-Base interactions energy: -59.457
where: short stacking energy: -51.413
Base-Backbone interact. energy: 0.243
local terms energy: -74.027816
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -2.938
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -136.193142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.193142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.193142 (E_RNA)
where:
Base-Base interactions energy: -61.629
where: short stacking energy: -51.681
Base-Backbone interact. energy: -0.407
local terms energy: -74.157455
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: 3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -492.216501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.216501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.216501 (E_RNA)
where:
Base-Base interactions energy: -345.806
where: short stacking energy: -139.698
Base-Backbone interact. energy: -0.577
local terms energy: -145.833423
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -38.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -472.131879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.131879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.131879 (E_RNA)
where:
Base-Base interactions energy: -322.125
where: short stacking energy: -122.009
Base-Backbone interact. energy: -0.617
local terms energy: -149.390199
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -33.790
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -44.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -468.619680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.619680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.619680 (E_RNA)
where:
Base-Base interactions energy: -310.535
where: short stacking energy: -131.609
Base-Backbone interact. energy: -2.690
local terms energy: -155.394391
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -44.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -391.743762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.743762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.743762 (E_RNA)
where:
Base-Base interactions energy: -260.744
where: short stacking energy: -121.510
Base-Backbone interact. energy: -0.885
local terms energy: -130.114762
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -33.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -373.282704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.282704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.282704 (E_RNA)
where:
Base-Base interactions energy: -240.318
where: short stacking energy: -111.989
Base-Backbone interact. energy: -0.071
local terms energy: -132.894263
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -32.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -341.576682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.576682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.576682 (E_RNA)
where:
Base-Base interactions energy: -212.500
where: short stacking energy: -114.254
Base-Backbone interact. energy: -0.357
local terms energy: -128.719735
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -29.021
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: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -281.838522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.838522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.838522 (E_RNA)
where:
Base-Base interactions energy: -164.249
where: short stacking energy: -87.734
Base-Backbone interact. energy: -0.345
local terms energy: -117.245261
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -159.588526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.588526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.588526 (E_RNA)
where:
Base-Base interactions energy: -78.415
where: short stacking energy: -45.563
Base-Backbone interact. energy: -0.237
local terms energy: -80.936011
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -139.593598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.593598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.593598 (E_RNA)
where:
Base-Base interactions energy: -52.968
where: short stacking energy: -43.487
Base-Backbone interact. energy: 0.329
local terms energy: -86.955244
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -130.514951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.514951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.514951 (E_RNA)
where:
Base-Base interactions energy: -48.220
where: short stacking energy: -37.493
Base-Backbone interact. energy: 0.481
local terms energy: -82.776722
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -1.167
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: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -481.987730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.987730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.987730 (E_RNA)
where:
Base-Base interactions energy: -331.189
where: short stacking energy: -133.068
Base-Backbone interact. energy: -1.500
local terms energy: -149.298870
where:
bonds (distance) C4'-P energy: -29.731
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -35.858
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: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -466.410362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.410362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.410362 (E_RNA)
where:
Base-Base interactions energy: -317.594
where: short stacking energy: -143.506
Base-Backbone interact. energy: -0.004
local terms energy: -148.811904
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -43.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -459.464772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.464772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.464772 (E_RNA)
where:
Base-Base interactions energy: -316.108
where: short stacking energy: -128.820
Base-Backbone interact. energy: 1.295
local terms energy: -144.651849
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -41.618
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: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -379.084730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.084730 (E_RNA)
where:
Base-Base interactions energy: -245.263
where: short stacking energy: -119.552
Base-Backbone interact. energy: -0.206
local terms energy: -133.615690
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -20.226
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: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -380.824355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.824355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.824355 (E_RNA)
where:
Base-Base interactions energy: -245.949
where: short stacking energy: -109.094
Base-Backbone interact. energy: -0.202
local terms energy: -134.672411
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -26.591
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: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -303.305295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.305295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.305295 (E_RNA)
where:
Base-Base interactions energy: -183.918
where: short stacking energy: -91.322
Base-Backbone interact. energy: -1.804
local terms energy: -117.582887
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -365.631079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.631079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.631079 (E_RNA)
where:
Base-Base interactions energy: -222.331
where: short stacking energy: -111.140
Base-Backbone interact. energy: -0.619
local terms energy: -142.680791
where:
bonds (distance) C4'-P energy: -29.821
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -34.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -152.741596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.741596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.741596 (E_RNA)
where:
Base-Base interactions energy: -52.678
where: short stacking energy: -49.345
Base-Backbone interact. energy: -0.301
local terms energy: -99.762493
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -3.286
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: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -144.285638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.285638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.285638 (E_RNA)
where:
Base-Base interactions energy: -62.101
where: short stacking energy: -33.018
Base-Backbone interact. energy: -0.606
local terms energy: -81.578419
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: 7.991
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: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -138.160601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.160601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.160601 (E_RNA)
where:
Base-Base interactions energy: -55.947
where: short stacking energy: -45.847
Base-Backbone interact. energy: 0.188
local terms energy: -82.401902
where:
bonds (distance) C4'-P energy: -25.839
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: 2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -482.589404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.589404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.589404 (E_RNA)
where:
Base-Base interactions energy: -338.089
where: short stacking energy: -147.293
Base-Backbone interact. energy: -1.373
local terms energy: -143.127085
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -44.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -473.800526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.800526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.800526 (E_RNA)
where:
Base-Base interactions energy: -312.550
where: short stacking energy: -134.549
Base-Backbone interact. energy: -0.715
local terms energy: -160.536056
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -37.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -454.913374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.913374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.913374 (E_RNA)
where:
Base-Base interactions energy: -306.399
where: short stacking energy: -133.363
Base-Backbone interact. energy: -0.461
local terms energy: -148.052889
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -43.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -379.991545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.991545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.991545 (E_RNA)
where:
Base-Base interactions energy: -247.882
where: short stacking energy: -111.131
Base-Backbone interact. energy: -0.611
local terms energy: -131.498938
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -30.215
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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -386.344021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.344021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.344021 (E_RNA)
where:
Base-Base interactions energy: -259.744
where: short stacking energy: -131.075
Base-Backbone interact. energy: -0.107
local terms energy: -126.493159
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -37.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -294.559291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.559291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.559291 (E_RNA)
where:
Base-Base interactions energy: -177.509
where: short stacking energy: -75.914
Base-Backbone interact. energy: -2.094
local terms energy: -114.956352
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -16.163
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: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -356.055776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.055776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.055776 (E_RNA)
where:
Base-Base interactions energy: -227.583
where: short stacking energy: -114.563
Base-Backbone interact. energy: 1.429
local terms energy: -129.902582
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -34.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -141.230276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.230276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.230276 (E_RNA)
where:
Base-Base interactions energy: -48.658
where: short stacking energy: -47.196
Base-Backbone interact. energy: 0.707
local terms energy: -93.279080
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -32.422
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -134.400779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.400779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.400779 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -37.473
Base-Backbone interact. energy: -0.201
local terms energy: -94.282181
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -5.783
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: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -133.332019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.332019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.332019 (E_RNA)
where:
Base-Base interactions energy: -40.082
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.558
local terms energy: -92.692034
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -475.870090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.870090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.870090 (E_RNA)
where:
Base-Base interactions energy: -331.815
where: short stacking energy: -139.999
Base-Backbone interact. energy: -1.215
local terms energy: -142.840625
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -454.785647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.785647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.785647 (E_RNA)
where:
Base-Base interactions energy: -320.332
where: short stacking energy: -138.345
Base-Backbone interact. energy: -0.453
local terms energy: -134.000977
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -14.025
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: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -464.384369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.384369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.384369 (E_RNA)
where:
Base-Base interactions energy: -315.526
where: short stacking energy: -142.796
Base-Backbone interact. energy: -0.019
local terms energy: -148.840039
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -24.006
tors. eta vs tors. theta energy: -46.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -392.367520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.367520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.367520 (E_RNA)
where:
Base-Base interactions energy: -263.115
where: short stacking energy: -130.162
Base-Backbone interact. energy: 0.413
local terms energy: -129.664826
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -374.976567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.976567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.976567 (E_RNA)
where:
Base-Base interactions energy: -233.285
where: short stacking energy: -107.396
Base-Backbone interact. energy: -0.607
local terms energy: -141.085234
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -32.294
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -350.218239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.218239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.218239 (E_RNA)
where:
Base-Base interactions energy: -234.092
where: short stacking energy: -110.422
Base-Backbone interact. energy: -0.540
local terms energy: -115.586140
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -309.668268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.668268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.668268 (E_RNA)
where:
Base-Base interactions energy: -199.912
where: short stacking energy: -85.763
Base-Backbone interact. energy: 1.284
local terms energy: -111.040244
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -146.388576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.388576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.388576 (E_RNA)
where:
Base-Base interactions energy: -55.432
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.137
local terms energy: -90.818787
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -3.830
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: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -155.771489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.771489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.771489 (E_RNA)
where:
Base-Base interactions energy: -65.094
where: short stacking energy: -44.736
Base-Backbone interact. energy: -2.311
local terms energy: -88.367032
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -128.428305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.428305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.428305 (E_RNA)
where:
Base-Base interactions energy: -36.239
where: short stacking energy: -29.254
Base-Backbone interact. energy: 0.470
local terms energy: -92.658479
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: 6.393
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: 170
Temperature: 0.900000
Total energy: -459.145320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.145320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.145320 (E_RNA)
where:
Base-Base interactions energy: -318.033
where: short stacking energy: -128.559
Base-Backbone interact. energy: -1.399
local terms energy: -139.713169
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -27.412
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -31.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -468.961573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.961573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.961573 (E_RNA)
where:
Base-Base interactions energy: -321.922
where: short stacking energy: -135.780
Base-Backbone interact. energy: -0.769
local terms energy: -146.269782
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -45.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -436.381121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.381121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.381121 (E_RNA)
where:
Base-Base interactions energy: -295.497
where: short stacking energy: -125.987
Base-Backbone interact. energy: -0.103
local terms energy: -140.781684
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -15.077
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: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -410.008996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.008996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.008996 (E_RNA)
where:
Base-Base interactions energy: -277.031
where: short stacking energy: -126.284
Base-Backbone interact. energy: 0.161
local terms energy: -133.138680
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -391.527335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.527335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.527335 (E_RNA)
where:
Base-Base interactions energy: -267.048
where: short stacking energy: -127.457
Base-Backbone interact. energy: -0.132
local terms energy: -124.347092
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -32.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -373.135717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.135717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.135717 (E_RNA)
where:
Base-Base interactions energy: -245.434
where: short stacking energy: -94.889
Base-Backbone interact. energy: -0.328
local terms energy: -127.373152
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -32.589
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -24.077
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: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -281.338152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.338152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.338152 (E_RNA)
where:
Base-Base interactions energy: -165.154
where: short stacking energy: -80.358
Base-Backbone interact. energy: 1.047
local terms energy: -117.232030
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -179.567095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.567095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.567095 (E_RNA)
where:
Base-Base interactions energy: -90.528
where: short stacking energy: -48.648
Base-Backbone interact. energy: -0.267
local terms energy: -88.772203
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -153.340899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.340899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.340899 (E_RNA)
where:
Base-Base interactions energy: -73.168
where: short stacking energy: -48.377
Base-Backbone interact. energy: -0.775
local terms energy: -79.398020
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -1.485
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: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -126.700131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.700131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.700131 (E_RNA)
where:
Base-Base interactions energy: -46.791
where: short stacking energy: -34.045
Base-Backbone interact. energy: -0.254
local terms energy: -79.655903
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -459.047350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.047350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.047350 (E_RNA)
where:
Base-Base interactions energy: -311.718
where: short stacking energy: -133.111
Base-Backbone interact. energy: 0.020
local terms energy: -147.349206
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -476.077101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.077101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.077101 (E_RNA)
where:
Base-Base interactions energy: -326.127
where: short stacking energy: -133.692
Base-Backbone interact. energy: -0.762
local terms energy: -149.188030
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -27.534
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -44.305
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: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -456.482964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.482964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.482964 (E_RNA)
where:
Base-Base interactions energy: -313.763
where: short stacking energy: -142.235
Base-Backbone interact. energy: -1.811
local terms energy: -140.908993
where:
bonds (distance) C4'-P energy: -26.842
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -43.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -413.860503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.860503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.860503 (E_RNA)
where:
Base-Base interactions energy: -276.874
where: short stacking energy: -130.293
Base-Backbone interact. energy: -0.054
local terms energy: -136.932363
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -27.792
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -20.174
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: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -393.185002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.185002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.185002 (E_RNA)
where:
Base-Base interactions energy: -262.364
where: short stacking energy: -123.949
Base-Backbone interact. energy: -0.650
local terms energy: -130.170719
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -31.462
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: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -352.351053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.351053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.351053 (E_RNA)
where:
Base-Base interactions energy: -226.034
where: short stacking energy: -102.886
Base-Backbone interact. energy: -0.880
local terms energy: -125.437261
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -31.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -298.804493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.804493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.804493 (E_RNA)
where:
Base-Base interactions energy: -181.165
where: short stacking energy: -96.194
Base-Backbone interact. energy: -0.048
local terms energy: -117.591370
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -21.969
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: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -154.300471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.300471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.300471 (E_RNA)
where:
Base-Base interactions energy: -51.495
where: short stacking energy: -47.639
Base-Backbone interact. energy: -3.245
local terms energy: -99.559813
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -150.549559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.549559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.549559 (E_RNA)
where:
Base-Base interactions energy: -74.819
where: short stacking energy: -42.780
Base-Backbone interact. energy: -2.128
local terms energy: -73.602807
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -137.576162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.576162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.576162 (E_RNA)
where:
Base-Base interactions energy: -50.814
where: short stacking energy: -33.969
Base-Backbone interact. energy: -0.887
local terms energy: -85.874726
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -26.475
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: 2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -478.423493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.423493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.423493 (E_RNA)
where:
Base-Base interactions energy: -322.515
where: short stacking energy: -137.829
Base-Backbone interact. energy: -0.125
local terms energy: -155.783248
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -44.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -452.573142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.573142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.573142 (E_RNA)
where:
Base-Base interactions energy: -310.029
where: short stacking energy: -130.371
Base-Backbone interact. energy: 0.437
local terms energy: -142.981618
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -23.499
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -460.398378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.398378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.398378 (E_RNA)
where:
Base-Base interactions energy: -311.488
where: short stacking energy: -126.382
Base-Backbone interact. energy: 0.734
local terms energy: -149.644185
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -410.978517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.978517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.978517 (E_RNA)
where:
Base-Base interactions energy: -277.635
where: short stacking energy: -145.034
Base-Backbone interact. energy: -0.010
local terms energy: -133.333583
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -403.391553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.391553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.391553 (E_RNA)
where:
Base-Base interactions energy: -267.056
where: short stacking energy: -130.854
Base-Backbone interact. energy: -0.782
local terms energy: -135.553347
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -37.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -345.754062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.754062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.754062 (E_RNA)
where:
Base-Base interactions energy: -222.829
where: short stacking energy: -116.896
Base-Backbone interact. energy: -0.437
local terms energy: -122.488711
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -28.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -280.801433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.801433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.801433 (E_RNA)
where:
Base-Base interactions energy: -174.160
where: short stacking energy: -80.814
Base-Backbone interact. energy: -1.367
local terms energy: -105.274740
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -160.528127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.528127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.528127 (E_RNA)
where:
Base-Base interactions energy: -63.573
where: short stacking energy: -55.744
Base-Backbone interact. energy: 0.868
local terms energy: -97.822940
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -149.709385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.709385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.709385 (E_RNA)
where:
Base-Base interactions energy: -61.469
where: short stacking energy: -52.684
Base-Backbone interact. energy: 0.816
local terms energy: -89.056822
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -1.633
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: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -126.745478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.745478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.745478 (E_RNA)
where:
Base-Base interactions energy: -42.786
where: short stacking energy: -38.823
Base-Backbone interact. energy: 1.073
local terms energy: -85.032111
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -491.506060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.506060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.506060 (E_RNA)
where:
Base-Base interactions energy: -341.106
where: short stacking energy: -134.606
Base-Backbone interact. energy: -0.670
local terms energy: -149.729724
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -457.600252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.600252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.600252 (E_RNA)
where:
Base-Base interactions energy: -310.843
where: short stacking energy: -134.821
Base-Backbone interact. energy: -1.260
local terms energy: -145.497328
where:
bonds (distance) C4'-P energy: -26.277
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -25.212
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -455.788076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.788076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.788076 (E_RNA)
where:
Base-Base interactions energy: -304.826
where: short stacking energy: -132.288
Base-Backbone interact. energy: 1.628
local terms energy: -152.590777
where:
bonds (distance) C4'-P energy: -34.666
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -40.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -390.150246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.150246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.150246 (E_RNA)
where:
Base-Base interactions energy: -258.375
where: short stacking energy: -117.518
Base-Backbone interact. energy: -0.156
local terms energy: -131.618995
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -30.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -394.605027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.605027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.605027 (E_RNA)
where:
Base-Base interactions energy: -256.177
where: short stacking energy: -143.653
Base-Backbone interact. energy: -1.329
local terms energy: -137.098671
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -45.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -312.196628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.196628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.196628 (E_RNA)
where:
Base-Base interactions energy: -190.731
where: short stacking energy: -97.528
Base-Backbone interact. energy: 0.000
local terms energy: -121.465677
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -293.601008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.601008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.601008 (E_RNA)
where:
Base-Base interactions energy: -174.512
where: short stacking energy: -90.320
Base-Backbone interact. energy: -0.384
local terms energy: -118.704973
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -23.388
tors. eta vs tors. theta energy: -23.439
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: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -173.205958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.205958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.205958 (E_RNA)
where:
Base-Base interactions energy: -84.625
where: short stacking energy: -45.252
Base-Backbone interact. energy: 0.583
local terms energy: -89.164771
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -2.162
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: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -155.971032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.971032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.971032 (E_RNA)
where:
Base-Base interactions energy: -53.217
where: short stacking energy: -47.595
Base-Backbone interact. energy: -0.148
local terms energy: -102.605438
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -4.365
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: 173
Temperature: 1.350000
Total energy: -126.315387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.315387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.315387 (E_RNA)
where:
Base-Base interactions energy: -37.715
where: short stacking energy: -37.709
Base-Backbone interact. energy: 0.638
local terms energy: -89.238106
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: 1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -485.548597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.548597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.548597 (E_RNA)
where:
Base-Base interactions energy: -335.728
where: short stacking energy: -133.067
Base-Backbone interact. energy: -0.924
local terms energy: -148.896882
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -14.565
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: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -466.718915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.718915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.718915 (E_RNA)
where:
Base-Base interactions energy: -324.300
where: short stacking energy: -136.706
Base-Backbone interact. energy: -1.005
local terms energy: -141.414134
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -21.111
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -461.959876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.959876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.959876 (E_RNA)
where:
Base-Base interactions energy: -319.071
where: short stacking energy: -140.528
Base-Backbone interact. energy: -0.992
local terms energy: -141.896302
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -28.983
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -41.037
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: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -382.325216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.325216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.325216 (E_RNA)
where:
Base-Base interactions energy: -251.452
where: short stacking energy: -104.583
Base-Backbone interact. energy: -1.242
local terms energy: -129.631288
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -30.283
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -27.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -381.534747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.534747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.534747 (E_RNA)
where:
Base-Base interactions energy: -244.574
where: short stacking energy: -125.379
Base-Backbone interact. energy: 1.533
local terms energy: -138.494213
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -17.464
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -336.248295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.248295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.248295 (E_RNA)
where:
Base-Base interactions energy: -225.049
where: short stacking energy: -99.367
Base-Backbone interact. energy: 1.080
local terms energy: -112.279747
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -27.040
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: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -303.380028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.380028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.380028 (E_RNA)
where:
Base-Base interactions energy: -190.254
where: short stacking energy: -105.748
Base-Backbone interact. energy: -0.662
local terms energy: -112.463431
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -25.653
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -151.795361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.795361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.795361 (E_RNA)
where:
Base-Base interactions energy: -62.928
where: short stacking energy: -44.518
Base-Backbone interact. energy: 0.030
local terms energy: -88.897173
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -6.502
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -160.885386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.885386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.885386 (E_RNA)
where:
Base-Base interactions energy: -85.743
where: short stacking energy: -41.274
Base-Backbone interact. energy: 0.387
local terms energy: -75.529701
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -130.786148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.786148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.786148 (E_RNA)
where:
Base-Base interactions energy: -49.919
where: short stacking energy: -30.240
Base-Backbone interact. energy: 1.331
local terms energy: -82.198480
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: 0.518
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: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -478.246852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.246852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.246852 (E_RNA)
where:
Base-Base interactions energy: -326.865
where: short stacking energy: -124.492
Base-Backbone interact. energy: -0.133
local terms energy: -151.249092
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -40.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -469.478576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.478576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.478576 (E_RNA)
where:
Base-Base interactions energy: -315.680
where: short stacking energy: -143.016
Base-Backbone interact. energy: -0.978
local terms energy: -152.820928
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -44.168
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: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -453.902587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.902587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.902587 (E_RNA)
where:
Base-Base interactions energy: -317.363
where: short stacking energy: -120.783
Base-Backbone interact. energy: 0.530
local terms energy: -137.069737
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -414.268031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.268031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.268031 (E_RNA)
where:
Base-Base interactions energy: -279.234
where: short stacking energy: -136.205
Base-Backbone interact. energy: -0.241
local terms energy: -134.792285
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -37.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -395.518376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.518376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.518376 (E_RNA)
where:
Base-Base interactions energy: -258.874
where: short stacking energy: -120.708
Base-Backbone interact. energy: -0.303
local terms energy: -136.341766
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -21.103
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: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -285.574461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.574461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.574461 (E_RNA)
where:
Base-Base interactions energy: -173.560
where: short stacking energy: -80.664
Base-Backbone interact. energy: 0.965
local terms energy: -112.978799
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -301.861496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.861496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.861496 (E_RNA)
where:
Base-Base interactions energy: -188.079
where: short stacking energy: -91.915
Base-Backbone interact. energy: -0.468
local terms energy: -113.314920
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -17.883
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: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -212.163631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.163631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.163631 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -60.051
Base-Backbone interact. energy: 0.320
local terms energy: -91.795344
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -7.368
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: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -134.365952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.365952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.365952 (E_RNA)
where:
Base-Base interactions energy: -50.633
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.765
local terms energy: -82.967328
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: 3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -138.560790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.560790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.560790 (E_RNA)
where:
Base-Base interactions energy: -67.929
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.550
local terms energy: -70.082463
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -7.572
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: 176
Temperature: 0.900000
Total energy: -484.417759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.417759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.417759 (E_RNA)
where:
Base-Base interactions energy: -331.256
where: short stacking energy: -133.169
Base-Backbone interact. energy: -0.791
local terms energy: -152.371115
where:
bonds (distance) C4'-P energy: -27.055
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -41.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -460.215921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.215921 (E_RNA)
where:
Base-Base interactions energy: -316.762
where: short stacking energy: -134.671
Base-Backbone interact. energy: -0.429
local terms energy: -143.025557
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -39.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -448.368791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.368791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.368791 (E_RNA)
where:
Base-Base interactions energy: -313.257
where: short stacking energy: -138.143
Base-Backbone interact. energy: 1.962
local terms energy: -137.073621
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -30.399
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -37.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -406.139108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.139108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.139108 (E_RNA)
where:
Base-Base interactions energy: -259.013
where: short stacking energy: -127.773
Base-Backbone interact. energy: -0.003
local terms energy: -147.123422
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -378.990304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.990304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.990304 (E_RNA)
where:
Base-Base interactions energy: -247.023
where: short stacking energy: -116.784
Base-Backbone interact. energy: -0.314
local terms energy: -131.653282
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -28.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -309.065795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.065795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.065795 (E_RNA)
where:
Base-Base interactions energy: -191.369
where: short stacking energy: -96.417
Base-Backbone interact. energy: -0.688
local terms energy: -117.008471
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -319.162530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.162530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.162530 (E_RNA)
where:
Base-Base interactions energy: -199.833
where: short stacking energy: -88.607
Base-Backbone interact. energy: -1.523
local terms energy: -117.806479
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -27.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -231.972281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.972281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.972281 (E_RNA)
where:
Base-Base interactions energy: -137.459
where: short stacking energy: -72.710
Base-Backbone interact. energy: -1.109
local terms energy: -93.403919
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -139.308100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.308100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.308100 (E_RNA)
where:
Base-Base interactions energy: -55.473
where: short stacking energy: -54.558
Base-Backbone interact. energy: 0.188
local terms energy: -84.022480
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -136.295054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.295054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.295054 (E_RNA)
where:
Base-Base interactions energy: -54.678
where: short stacking energy: -45.652
Base-Backbone interact. energy: -0.632
local terms energy: -80.985712
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -492.223168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.223168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.223168 (E_RNA)
where:
Base-Base interactions energy: -341.786
where: short stacking energy: -128.163
Base-Backbone interact. energy: -0.580
local terms energy: -149.857286
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -42.025
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: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -447.064620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.064620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.064620 (E_RNA)
where:
Base-Base interactions energy: -304.010
where: short stacking energy: -132.063
Base-Backbone interact. energy: -0.995
local terms energy: -142.059707
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -34.516
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: 177
Temperature: 1.000000
Total energy: -433.022969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.022969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.022969 (E_RNA)
where:
Base-Base interactions energy: -295.616
where: short stacking energy: -127.370
Base-Backbone interact. energy: -0.147
local terms energy: -137.260016
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -32.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -396.355860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.355860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.355860 (E_RNA)
where:
Base-Base interactions energy: -261.641
where: short stacking energy: -123.981
Base-Backbone interact. energy: -0.248
local terms energy: -134.467154
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -21.595
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: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -386.433303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.433303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.433303 (E_RNA)
where:
Base-Base interactions energy: -249.086
where: short stacking energy: -119.994
Base-Backbone interact. energy: -0.129
local terms energy: -137.217742
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -319.691160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.691160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.691160 (E_RNA)
where:
Base-Base interactions energy: -203.286
where: short stacking energy: -90.315
Base-Backbone interact. energy: 0.281
local terms energy: -116.686225
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -286.476429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.476429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.476429 (E_RNA)
where:
Base-Base interactions energy: -177.238
where: short stacking energy: -89.150
Base-Backbone interact. energy: -0.405
local terms energy: -108.832941
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -152.926095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.926095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.926095 (E_RNA)
where:
Base-Base interactions energy: -51.965
where: short stacking energy: -40.894
Base-Backbone interact. energy: -0.384
local terms energy: -100.577295
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -166.770741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.770741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.770741 (E_RNA)
where:
Base-Base interactions energy: -76.414
where: short stacking energy: -29.500
Base-Backbone interact. energy: -0.695
local terms energy: -89.661289
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -148.070784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.070784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.070784 (E_RNA)
where:
Base-Base interactions energy: -56.756
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.089
local terms energy: -91.225177
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: 0.684
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -482.886975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.886975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.886975 (E_RNA)
where:
Base-Base interactions energy: -340.792
where: short stacking energy: -126.588
Base-Backbone interact. energy: -1.536
local terms energy: -140.558840
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -43.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -470.943261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.943261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.943261 (E_RNA)
where:
Base-Base interactions energy: -318.592
where: short stacking energy: -141.272
Base-Backbone interact. energy: -1.127
local terms energy: -151.223914
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -42.050
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: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -427.631959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.631959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.631959 (E_RNA)
where:
Base-Base interactions energy: -274.054
where: short stacking energy: -136.983
Base-Backbone interact. energy: -0.055
local terms energy: -153.523231
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -25.938
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: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -445.006554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.006554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.006554 (E_RNA)
where:
Base-Base interactions energy: -298.680
where: short stacking energy: -144.853
Base-Backbone interact. energy: -0.923
local terms energy: -145.404355
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -43.946
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: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -395.016125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.016125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.016125 (E_RNA)
where:
Base-Base interactions energy: -251.417
where: short stacking energy: -135.026
Base-Backbone interact. energy: -0.202
local terms energy: -143.396871
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -40.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -281.586067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.586067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.586067 (E_RNA)
where:
Base-Base interactions energy: -162.566
where: short stacking energy: -81.044
Base-Backbone interact. energy: -0.941
local terms energy: -118.079526
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -298.611511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.611511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.611511 (E_RNA)
where:
Base-Base interactions energy: -188.437
where: short stacking energy: -92.275
Base-Backbone interact. energy: 1.939
local terms energy: -112.113833
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -28.256
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -24.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -162.906296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.906296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.906296 (E_RNA)
where:
Base-Base interactions energy: -70.852
where: short stacking energy: -41.760
Base-Backbone interact. energy: 1.058
local terms energy: -93.112308
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -32.098
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: 6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -143.099273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.099273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.099273 (E_RNA)
where:
Base-Base interactions energy: -56.973
where: short stacking energy: -40.333
Base-Backbone interact. energy: 0.733
local terms energy: -86.859553
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -26.057
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: 5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -149.996358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.996358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.996358 (E_RNA)
where:
Base-Base interactions energy: -57.804
where: short stacking energy: -48.229
Base-Backbone interact. energy: -0.205
local terms energy: -91.987435
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -479.524859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.524859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.524859 (E_RNA)
where:
Base-Base interactions energy: -330.938
where: short stacking energy: -127.495
Base-Backbone interact. energy: -0.240
local terms energy: -148.346672
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -43.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -469.872599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.872599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.872599 (E_RNA)
where:
Base-Base interactions energy: -311.720
where: short stacking energy: -136.256
Base-Backbone interact. energy: -0.335
local terms energy: -157.817035
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -43.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -428.073289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.073289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.073289 (E_RNA)
where:
Base-Base interactions energy: -279.655
where: short stacking energy: -136.450
Base-Backbone interact. energy: 0.592
local terms energy: -149.010308
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -25.331
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: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -422.573141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.573141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.573141 (E_RNA)
where:
Base-Base interactions energy: -292.304
where: short stacking energy: -124.500
Base-Backbone interact. energy: -0.675
local terms energy: -129.594217
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -386.291432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.291432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.291432 (E_RNA)
where:
Base-Base interactions energy: -254.328
where: short stacking energy: -126.747
Base-Backbone interact. energy: -0.194
local terms energy: -131.768843
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -38.443
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -307.336492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.336492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.336492 (E_RNA)
where:
Base-Base interactions energy: -184.945
where: short stacking energy: -83.760
Base-Backbone interact. energy: -1.029
local terms energy: -121.362603
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -20.470
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: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -295.888288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.888288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.888288 (E_RNA)
where:
Base-Base interactions energy: -189.936
where: short stacking energy: -78.956
Base-Backbone interact. energy: 0.030
local terms energy: -105.982788
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -160.037418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.037418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.037418 (E_RNA)
where:
Base-Base interactions energy: -60.150
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.343
local terms energy: -99.544405
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -143.465472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.465472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.465472 (E_RNA)
where:
Base-Base interactions energy: -48.360
where: short stacking energy: -39.610
Base-Backbone interact. energy: 1.720
local terms energy: -96.825348
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: 3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -133.104173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.104173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.104173 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -43.283
Base-Backbone interact. energy: -0.934
local terms energy: -84.132397
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -0.884
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: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -466.341064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.341064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.341064 (E_RNA)
where:
Base-Base interactions energy: -306.765
where: short stacking energy: -133.781
Base-Backbone interact. energy: -0.256
local terms energy: -159.320084
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -42.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -459.621375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.621375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.621375 (E_RNA)
where:
Base-Base interactions energy: -321.807
where: short stacking energy: -124.951
Base-Backbone interact. energy: -0.553
local terms energy: -137.262052
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -39.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -428.733837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.733837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.733837 (E_RNA)
where:
Base-Base interactions energy: -269.962
where: short stacking energy: -141.658
Base-Backbone interact. energy: -1.080
local terms energy: -157.692656
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -440.578639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.578639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.578639 (E_RNA)
where:
Base-Base interactions energy: -299.488
where: short stacking energy: -124.624
Base-Backbone interact. energy: -0.330
local terms energy: -140.760695
where:
bonds (distance) C4'-P energy: -28.643
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -37.546
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: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -379.376756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.376756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.376756 (E_RNA)
where:
Base-Base interactions energy: -250.677
where: short stacking energy: -119.531
Base-Backbone interact. energy: -0.755
local terms energy: -127.944827
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -35.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -308.802673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.802673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.802673 (E_RNA)
where:
Base-Base interactions energy: -190.344
where: short stacking energy: -86.937
Base-Backbone interact. energy: -0.338
local terms energy: -118.119817
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -23.030
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: 180
Temperature: 1.200000
Total energy: -332.057884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.057884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.057884 (E_RNA)
where:
Base-Base interactions energy: -203.187
where: short stacking energy: -87.610
Base-Backbone interact. energy: -0.291
local terms energy: -128.580303
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -26.328
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -29.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -167.034229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.034229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.034229 (E_RNA)
where:
Base-Base interactions energy: -89.129
where: short stacking energy: -65.832
Base-Backbone interact. energy: -0.754
local terms energy: -77.150523
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -2.461
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: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -166.103898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.103898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.103898 (E_RNA)
where:
Base-Base interactions energy: -67.376
where: short stacking energy: -49.012
Base-Backbone interact. energy: -0.622
local terms energy: -98.106429
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -3.011
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: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -131.350348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.350348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.350348 (E_RNA)
where:
Base-Base interactions energy: -53.868
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.078
local terms energy: -77.404103
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: 7.159
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: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -475.427859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.427859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.427859 (E_RNA)
where:
Base-Base interactions energy: -335.436
where: short stacking energy: -154.230
Base-Backbone interact. energy: -1.406
local terms energy: -138.585329
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -44.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -417.970552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.970552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.970552 (E_RNA)
where:
Base-Base interactions energy: -255.938
where: short stacking energy: -133.065
Base-Backbone interact. energy: -0.138
local terms energy: -161.894537
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -30.884
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -42.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -455.033414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.033414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.033414 (E_RNA)
where:
Base-Base interactions energy: -312.042
where: short stacking energy: -120.986
Base-Backbone interact. energy: -1.514
local terms energy: -141.477583
where:
bonds (distance) C4'-P energy: -33.078
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -38.290
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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -431.089151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.089151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.089151 (E_RNA)
where:
Base-Base interactions energy: -299.993
where: short stacking energy: -124.283
Base-Backbone interact. energy: -0.552
local terms energy: -130.544319
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -32.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -387.819577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.819577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.819577 (E_RNA)
where:
Base-Base interactions energy: -258.729
where: short stacking energy: -135.229
Base-Backbone interact. energy: -1.517
local terms energy: -127.573243
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -28.910
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -320.994556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.994556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.994556 (E_RNA)
where:
Base-Base interactions energy: -212.107
where: short stacking energy: -99.867
Base-Backbone interact. energy: -0.870
local terms energy: -108.016866
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -294.223858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.223858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.223858 (E_RNA)
where:
Base-Base interactions energy: -176.960
where: short stacking energy: -99.282
Base-Backbone interact. energy: -0.076
local terms energy: -117.188594
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -158.070163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.070163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.070163 (E_RNA)
where:
Base-Base interactions energy: -75.072
where: short stacking energy: -51.158
Base-Backbone interact. energy: 1.860
local terms energy: -84.857543
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -158.052447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.052447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.052447 (E_RNA)
where:
Base-Base interactions energy: -65.043
where: short stacking energy: -48.624
Base-Backbone interact. energy: 0.072
local terms energy: -93.081132
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: 3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -135.041322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.041322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.041322 (E_RNA)
where:
Base-Base interactions energy: -45.117
where: short stacking energy: -44.616
Base-Backbone interact. energy: -1.528
local terms energy: -88.396529
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -485.231943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.231943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.231943 (E_RNA)
where:
Base-Base interactions energy: -323.883
where: short stacking energy: -145.533
Base-Backbone interact. energy: -1.232
local terms energy: -160.116454
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -44.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -429.962552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.962552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.962552 (E_RNA)
where:
Base-Base interactions energy: -279.761
where: short stacking energy: -149.410
Base-Backbone interact. energy: -0.694
local terms energy: -149.507193
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -20.960
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: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -456.962300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.962300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.962300 (E_RNA)
where:
Base-Base interactions energy: -308.133
where: short stacking energy: -125.099
Base-Backbone interact. energy: -0.461
local terms energy: -148.368525
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -25.329
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: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -446.537816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.537816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.537816 (E_RNA)
where:
Base-Base interactions energy: -301.439
where: short stacking energy: -120.259
Base-Backbone interact. energy: -0.237
local terms energy: -144.860928
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -36.909
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: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -388.543477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.543477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.543477 (E_RNA)
where:
Base-Base interactions energy: -255.992
where: short stacking energy: -127.990
Base-Backbone interact. energy: 0.121
local terms energy: -132.672003
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -22.217
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: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -333.378869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.378869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.378869 (E_RNA)
where:
Base-Base interactions energy: -215.662
where: short stacking energy: -86.533
Base-Backbone interact. energy: 0.118
local terms energy: -117.834472
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -260.454624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.454624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.454624 (E_RNA)
where:
Base-Base interactions energy: -141.785
where: short stacking energy: -75.141
Base-Backbone interact. energy: -0.450
local terms energy: -118.219716
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -20.710
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: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -183.454312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.454312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.454312 (E_RNA)
where:
Base-Base interactions energy: -85.806
where: short stacking energy: -44.384
Base-Backbone interact. energy: -0.241
local terms energy: -97.407248
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -138.108795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.108795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.108795 (E_RNA)
where:
Base-Base interactions energy: -55.019
where: short stacking energy: -30.378
Base-Backbone interact. energy: 1.337
local terms energy: -84.427201
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -140.452315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.452315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.452315 (E_RNA)
where:
Base-Base interactions energy: -69.791
where: short stacking energy: -44.312
Base-Backbone interact. energy: 2.119
local terms energy: -72.780339
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: 7.687
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -481.953060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.953060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.953060 (E_RNA)
where:
Base-Base interactions energy: -319.949
where: short stacking energy: -145.103
Base-Backbone interact. energy: -1.481
local terms energy: -160.522982
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -44.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -451.606677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.606677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.606677 (E_RNA)
where:
Base-Base interactions energy: -304.779
where: short stacking energy: -131.035
Base-Backbone interact. energy: -2.279
local terms energy: -144.548585
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -40.448
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: 183
Temperature: 1.000000
Total energy: -407.293845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.293845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.293845 (E_RNA)
where:
Base-Base interactions energy: -263.112
where: short stacking energy: -140.554
Base-Backbone interact. energy: -0.003
local terms energy: -144.179192
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -442.560601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.560601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.560601 (E_RNA)
where:
Base-Base interactions energy: -297.195
where: short stacking energy: -122.595
Base-Backbone interact. energy: 0.576
local terms energy: -145.941040
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -25.315
tors. eta vs tors. theta energy: -40.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -381.008653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.008653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.008653 (E_RNA)
where:
Base-Base interactions energy: -250.727
where: short stacking energy: -120.098
Base-Backbone interact. energy: -0.206
local terms energy: -130.076107
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -284.352772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.352772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.352772 (E_RNA)
where:
Base-Base interactions energy: -167.261
where: short stacking energy: -88.749
Base-Backbone interact. energy: -0.331
local terms energy: -116.760751
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -17.424
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: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -257.294406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.294406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.294406 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -79.628
Base-Backbone interact. energy: 0.654
local terms energy: -92.560523
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -221.979857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.979857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.979857 (E_RNA)
where:
Base-Base interactions energy: -149.583
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.587
local terms energy: -71.809755
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -162.811309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.811309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.811309 (E_RNA)
where:
Base-Base interactions energy: -68.631
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.495
local terms energy: -93.685663
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -6.420
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: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -143.172440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.172440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.172440 (E_RNA)
where:
Base-Base interactions energy: -58.767
where: short stacking energy: -35.756
Base-Backbone interact. energy: -1.074
local terms energy: -83.331420
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -473.361964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.361964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.361964 (E_RNA)
where:
Base-Base interactions energy: -326.961
where: short stacking energy: -142.781
Base-Backbone interact. energy: 0.572
local terms energy: -146.973470
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -31.788
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -45.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -452.040978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.040978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.040978 (E_RNA)
where:
Base-Base interactions energy: -300.488
where: short stacking energy: -132.294
Base-Backbone interact. energy: -1.430
local terms energy: -150.123075
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -25.212
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: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -450.177424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.177424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.177424 (E_RNA)
where:
Base-Base interactions energy: -305.822
where: short stacking energy: -129.427
Base-Backbone interact. energy: -0.769
local terms energy: -143.586599
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -42.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -409.946468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.946468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.946468 (E_RNA)
where:
Base-Base interactions energy: -270.929
where: short stacking energy: -125.912
Base-Backbone interact. energy: -0.571
local terms energy: -138.446382
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -34.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -385.567379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.567379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.567379 (E_RNA)
where:
Base-Base interactions energy: -258.046
where: short stacking energy: -126.419
Base-Backbone interact. energy: 0.193
local terms energy: -127.714093
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -34.335
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: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -286.482040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.482040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.482040 (E_RNA)
where:
Base-Base interactions energy: -178.036
where: short stacking energy: -91.844
Base-Backbone interact. energy: 0.387
local terms energy: -108.832932
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -265.939549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.939549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.939549 (E_RNA)
where:
Base-Base interactions energy: -153.262
where: short stacking energy: -81.704
Base-Backbone interact. energy: -0.182
local terms energy: -112.495642
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -30.491
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -218.272343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.272343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.272343 (E_RNA)
where:
Base-Base interactions energy: -109.791
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.436
local terms energy: -108.045289
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -30.955
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -14.939
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: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -142.934473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.934473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.934473 (E_RNA)
where:
Base-Base interactions energy: -49.893
where: short stacking energy: -49.893
Base-Backbone interact. energy: 2.490
local terms energy: -95.531359
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -12.484
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: 184
Temperature: 1.350000
Total energy: -120.608476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.608476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.608476 (E_RNA)
where:
Base-Base interactions energy: -41.579
where: short stacking energy: -40.250
Base-Backbone interact. energy: 1.260
local terms energy: -80.288932
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: 6.860
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: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -463.741512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.741512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.741512 (E_RNA)
where:
Base-Base interactions energy: -319.756
where: short stacking energy: -141.078
Base-Backbone interact. energy: -0.204
local terms energy: -143.781272
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -44.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -460.898745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.898745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.898745 (E_RNA)
where:
Base-Base interactions energy: -311.742
where: short stacking energy: -131.834
Base-Backbone interact. energy: 2.068
local terms energy: -151.225250
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -34.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -437.326863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.326863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.326863 (E_RNA)
where:
Base-Base interactions energy: -287.483
where: short stacking energy: -148.958
Base-Backbone interact. energy: -0.511
local terms energy: -149.332946
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -46.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -393.624617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.624617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.624617 (E_RNA)
where:
Base-Base interactions energy: -255.927
where: short stacking energy: -115.244
Base-Backbone interact. energy: -0.472
local terms energy: -137.225851
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -29.014
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -401.462416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.462416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.462416 (E_RNA)
where:
Base-Base interactions energy: -247.951
where: short stacking energy: -131.296
Base-Backbone interact. energy: -0.794
local terms energy: -152.717103
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -41.200
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -305.564198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.564198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.564198 (E_RNA)
where:
Base-Base interactions energy: -183.724
where: short stacking energy: -102.829
Base-Backbone interact. energy: -0.465
local terms energy: -121.375357
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -267.375918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.375918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.375918 (E_RNA)
where:
Base-Base interactions energy: -145.153
where: short stacking energy: -77.172
Base-Backbone interact. energy: -0.830
local terms energy: -121.393122
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -20.444
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: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -213.846150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.846150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.846150 (E_RNA)
where:
Base-Base interactions energy: -109.661
where: short stacking energy: -66.626
Base-Backbone interact. energy: 0.087
local terms energy: -104.271611
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -141.984292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.984292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.984292 (E_RNA)
where:
Base-Base interactions energy: -48.054
where: short stacking energy: -46.070
Base-Backbone interact. energy: 0.392
local terms energy: -94.322937
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -141.116529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.116529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.116529 (E_RNA)
where:
Base-Base interactions energy: -54.098
where: short stacking energy: -48.645
Base-Backbone interact. energy: 0.599
local terms energy: -87.617750
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -480.163871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.163871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.163871 (E_RNA)
where:
Base-Base interactions energy: -329.599
where: short stacking energy: -138.063
Base-Backbone interact. energy: -0.800
local terms energy: -149.765760
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -45.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -456.620070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.620070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.620070 (E_RNA)
where:
Base-Base interactions energy: -312.951
where: short stacking energy: -138.494
Base-Backbone interact. energy: -0.269
local terms energy: -143.399638
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -44.171
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: 186
Temperature: 1.000000
Total energy: -450.384054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.384054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.384054 (E_RNA)
where:
Base-Base interactions energy: -307.096
where: short stacking energy: -125.107
Base-Backbone interact. energy: -0.582
local terms energy: -142.706641
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -42.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -393.805710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.805710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.805710 (E_RNA)
where:
Base-Base interactions energy: -249.919
where: short stacking energy: -119.169
Base-Backbone interact. energy: -0.919
local terms energy: -142.968155
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -21.734
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: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -394.858835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.858835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.858835 (E_RNA)
where:
Base-Base interactions energy: -247.406
where: short stacking energy: -120.522
Base-Backbone interact. energy: -0.052
local terms energy: -147.400837
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -42.578
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: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -321.011496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.011496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.011496 (E_RNA)
where:
Base-Base interactions energy: -214.956
where: short stacking energy: -82.561
Base-Backbone interact. energy: -0.617
local terms energy: -105.438381
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -201.618757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.618757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.618757 (E_RNA)
where:
Base-Base interactions energy: -98.530
where: short stacking energy: -54.984
Base-Backbone interact. energy: -0.432
local terms energy: -102.656808
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -25.312
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -239.556808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.556808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.556808 (E_RNA)
where:
Base-Base interactions energy: -137.644
where: short stacking energy: -70.200
Base-Backbone interact. energy: 3.906
local terms energy: -105.819026
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -24.214
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -154.722504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.722504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.722504 (E_RNA)
where:
Base-Base interactions energy: -56.211
where: short stacking energy: -52.345
Base-Backbone interact. energy: -0.734
local terms energy: -97.778046
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -148.698001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.698001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.698001 (E_RNA)
where:
Base-Base interactions energy: -56.051
where: short stacking energy: -52.002
Base-Backbone interact. energy: -0.149
local terms energy: -92.497890
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -12.876
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: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -477.587842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.587842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.587842 (E_RNA)
where:
Base-Base interactions energy: -320.183
where: short stacking energy: -142.155
Base-Backbone interact. energy: 0.428
local terms energy: -157.832637
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -41.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -461.383826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.383826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.383826 (E_RNA)
where:
Base-Base interactions energy: -311.857
where: short stacking energy: -144.738
Base-Backbone interact. energy: -0.192
local terms energy: -149.334337
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -43.970
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -453.904665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.904665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.904665 (E_RNA)
where:
Base-Base interactions energy: -313.683
where: short stacking energy: -127.487
Base-Backbone interact. energy: -0.505
local terms energy: -139.717037
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -29.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -413.000342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.000342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.000342 (E_RNA)
where:
Base-Base interactions energy: -273.931
where: short stacking energy: -131.434
Base-Backbone interact. energy: -1.282
local terms energy: -137.786831
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -22.120
tors. eta vs tors. theta energy: -36.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -401.302815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.302815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.302815 (E_RNA)
where:
Base-Base interactions energy: -260.002
where: short stacking energy: -131.976
Base-Backbone interact. energy: -0.872
local terms energy: -140.428204
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -26.408
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -41.794
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -345.687214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.687214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.687214 (E_RNA)
where:
Base-Base interactions energy: -226.057
where: short stacking energy: -105.745
Base-Backbone interact. energy: -1.383
local terms energy: -118.247094
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -27.800
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -242.747904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.747904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.747904 (E_RNA)
where:
Base-Base interactions energy: -131.553
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.711
local terms energy: -110.483328
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -255.440244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.440244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.440244 (E_RNA)
where:
Base-Base interactions energy: -142.416
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.864
local terms energy: -112.159920
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -136.275565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.275565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.275565 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -33.691
Base-Backbone interact. energy: -0.419
local terms energy: -91.883074
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -133.567914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.567914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.567914 (E_RNA)
where:
Base-Base interactions energy: -40.203
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.615
local terms energy: -92.749901
where:
bonds (distance) C4'-P energy: -28.508
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -0.737
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: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -482.266312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.266312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.266312 (E_RNA)
where:
Base-Base interactions energy: -328.300
where: short stacking energy: -143.392
Base-Backbone interact. energy: -1.225
local terms energy: -152.742277
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -40.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -464.135956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.135956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.135956 (E_RNA)
where:
Base-Base interactions energy: -321.286
where: short stacking energy: -141.922
Base-Backbone interact. energy: 0.807
local terms energy: -143.657626
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -39.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -424.650531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.650531 (E_RNA)
where:
Base-Base interactions energy: -275.552
where: short stacking energy: -129.086
Base-Backbone interact. energy: 0.358
local terms energy: -149.456601
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -30.141
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -41.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -427.288845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.288845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.288845 (E_RNA)
where:
Base-Base interactions energy: -305.368
where: short stacking energy: -124.293
Base-Backbone interact. energy: -0.442
local terms energy: -121.478824
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -22.156
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: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -400.123770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.123770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.123770 (E_RNA)
where:
Base-Base interactions energy: -267.179
where: short stacking energy: -132.233
Base-Backbone interact. energy: -1.144
local terms energy: -131.800967
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -34.396
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: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -357.207843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.207843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.207843 (E_RNA)
where:
Base-Base interactions energy: -222.918
where: short stacking energy: -101.502
Base-Backbone interact. energy: -0.024
local terms energy: -134.265783
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -22.695
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -266.008405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.008405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.008405 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -70.657
Base-Backbone interact. energy: -0.239
local terms energy: -106.054220
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -219.414087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.414087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.414087 (E_RNA)
where:
Base-Base interactions energy: -112.618
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.438
local terms energy: -106.358516
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -29.946
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -141.748869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.748869 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -46.488
Base-Backbone interact. energy: -0.194
local terms energy: -88.478326
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -141.552985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.552985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.552985 (E_RNA)
where:
Base-Base interactions energy: -52.332
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.358
local terms energy: -88.862650
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -471.935310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.935310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.935310 (E_RNA)
where:
Base-Base interactions energy: -328.500
where: short stacking energy: -139.405
Base-Backbone interact. energy: -0.956
local terms energy: -142.479427
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -15.167
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: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -456.902430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.902430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.902430 (E_RNA)
where:
Base-Base interactions energy: -305.532
where: short stacking energy: -136.263
Base-Backbone interact. energy: 1.363
local terms energy: -152.733168
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -19.650
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: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -424.698064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.698064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.698064 (E_RNA)
where:
Base-Base interactions energy: -281.178
where: short stacking energy: -145.129
Base-Backbone interact. energy: -0.311
local terms energy: -143.208575
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -40.809
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: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -442.002488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.002488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.002488 (E_RNA)
where:
Base-Base interactions energy: -300.973
where: short stacking energy: -123.015
Base-Backbone interact. energy: -0.301
local terms energy: -140.729196
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -31.482
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -36.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -405.536822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.536822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.536822 (E_RNA)
where:
Base-Base interactions energy: -264.899
where: short stacking energy: -124.438
Base-Backbone interact. energy: -0.151
local terms energy: -140.486642
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -29.945
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -34.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -349.494170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.494170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.494170 (E_RNA)
where:
Base-Base interactions energy: -208.906
where: short stacking energy: -109.904
Base-Backbone interact. energy: -0.093
local terms energy: -140.494944
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -38.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -275.844979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.844979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.844979 (E_RNA)
where:
Base-Base interactions energy: -165.221
where: short stacking energy: -87.914
Base-Backbone interact. energy: -0.563
local terms energy: -110.060732
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -219.831486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.831486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.831486 (E_RNA)
where:
Base-Base interactions energy: -123.262
where: short stacking energy: -63.815
Base-Backbone interact. energy: 1.162
local terms energy: -97.732004
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -152.813877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.813877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.813877 (E_RNA)
where:
Base-Base interactions energy: -58.025
where: short stacking energy: -54.467
Base-Backbone interact. energy: -2.003
local terms energy: -92.786086
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -27.390
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -2.672
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: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -125.829251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.829251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.829251 (E_RNA)
where:
Base-Base interactions energy: -45.445
where: short stacking energy: -31.228
Base-Backbone interact. energy: 0.881
local terms energy: -81.265513
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -3.088
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -475.084886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.084886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.084886 (E_RNA)
where:
Base-Base interactions energy: -321.640
where: short stacking energy: -143.582
Base-Backbone interact. energy: -1.650
local terms energy: -151.794461
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -40.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -445.573890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.573890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.573890 (E_RNA)
where:
Base-Base interactions energy: -297.098
where: short stacking energy: -123.279
Base-Backbone interact. energy: -0.128
local terms energy: -148.348098
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -19.104
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: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -445.796842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.796842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.796842 (E_RNA)
where:
Base-Base interactions energy: -298.289
where: short stacking energy: -129.704
Base-Backbone interact. energy: -0.350
local terms energy: -147.157249
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -34.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -406.225236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.225236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.225236 (E_RNA)
where:
Base-Base interactions energy: -270.732
where: short stacking energy: -127.117
Base-Backbone interact. energy: -0.422
local terms energy: -135.071674
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -40.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -389.738862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.738862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.738862 (E_RNA)
where:
Base-Base interactions energy: -256.523
where: short stacking energy: -127.370
Base-Backbone interact. energy: -0.013
local terms energy: -133.202313
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -36.844
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: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -337.925757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.925757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.925757 (E_RNA)
where:
Base-Base interactions energy: -216.042
where: short stacking energy: -114.611
Base-Backbone interact. energy: 0.137
local terms energy: -122.021216
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -28.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -285.657117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.657117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.657117 (E_RNA)
where:
Base-Base interactions energy: -179.481
where: short stacking energy: -87.887
Base-Backbone interact. energy: -1.409
local terms energy: -104.767352
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -16.523
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -240.889660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.889660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.889660 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -68.086
Base-Backbone interact. energy: 0.474
local terms energy: -107.210377
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -135.390884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.390884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.390884 (E_RNA)
where:
Base-Base interactions energy: -48.671
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.308
local terms energy: -86.411868
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -132.151089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.151089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.151089 (E_RNA)
where:
Base-Base interactions energy: -48.926
where: short stacking energy: -40.811
Base-Backbone interact. energy: 1.593
local terms energy: -84.818756
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -476.962022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.962022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.962022 (E_RNA)
where:
Base-Base interactions energy: -328.557
where: short stacking energy: -136.674
Base-Backbone interact. energy: -1.004
local terms energy: -147.401247
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -33.348
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -40.491
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: 191
Temperature: 0.950000
Total energy: -456.758324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.758324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.758324 (E_RNA)
where:
Base-Base interactions energy: -311.613
where: short stacking energy: -127.956
Base-Backbone interact. energy: 2.503
local terms energy: -147.648301
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -37.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -431.406226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.406226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.406226 (E_RNA)
where:
Base-Base interactions energy: -282.070
where: short stacking energy: -126.339
Base-Backbone interact. energy: -0.183
local terms energy: -149.152700
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -27.148
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -24.434
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: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -412.034187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.034187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.034187 (E_RNA)
where:
Base-Base interactions energy: -271.882
where: short stacking energy: -143.712
Base-Backbone interact. energy: -0.310
local terms energy: -139.842544
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -23.413
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: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -386.962944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.962944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.962944 (E_RNA)
where:
Base-Base interactions energy: -250.650
where: short stacking energy: -120.727
Base-Backbone interact. energy: -0.032
local terms energy: -136.281079
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -318.833614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.833614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.833614 (E_RNA)
where:
Base-Base interactions energy: -201.323
where: short stacking energy: -103.585
Base-Backbone interact. energy: -0.198
local terms energy: -117.313567
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -26.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -274.507043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.507043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.507043 (E_RNA)
where:
Base-Base interactions energy: -170.624
where: short stacking energy: -75.555
Base-Backbone interact. energy: -0.346
local terms energy: -103.537421
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -14.945
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: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -247.317604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.317604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.317604 (E_RNA)
where:
Base-Base interactions energy: -140.806
where: short stacking energy: -64.297
Base-Backbone interact. energy: 0.201
local terms energy: -106.713202
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -136.840420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.840420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.840420 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -41.935
Base-Backbone interact. energy: -0.529
local terms energy: -81.733427
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: 0.368
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: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -148.977802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.977802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.977802 (E_RNA)
where:
Base-Base interactions energy: -65.739
where: short stacking energy: -47.541
Base-Backbone interact. energy: -0.711
local terms energy: -82.526965
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -1.265
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: 192
Temperature: 0.900000
Total energy: -481.190451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.190451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.190451 (E_RNA)
where:
Base-Base interactions energy: -330.908
where: short stacking energy: -149.155
Base-Backbone interact. energy: -1.673
local terms energy: -148.609471
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -18.949
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: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -479.084218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.084218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.084218 (E_RNA)
where:
Base-Base interactions energy: -330.141
where: short stacking energy: -142.829
Base-Backbone interact. energy: -0.371
local terms energy: -148.572001
where:
bonds (distance) C4'-P energy: -28.774
bonds (distance) P-C4' energy: -26.475
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -43.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -431.825877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.825877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.825877 (E_RNA)
where:
Base-Base interactions energy: -285.208
where: short stacking energy: -134.630
Base-Backbone interact. energy: -0.608
local terms energy: -146.010234
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -24.088
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: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -406.468558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.468558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.468558 (E_RNA)
where:
Base-Base interactions energy: -267.820
where: short stacking energy: -121.452
Base-Backbone interact. energy: -1.803
local terms energy: -136.844767
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -35.200
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: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -323.038934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.038934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.038934 (E_RNA)
where:
Base-Base interactions energy: -189.350
where: short stacking energy: -107.670
Base-Backbone interact. energy: -0.203
local terms energy: -133.485823
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -22.872
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: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -370.788449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.788449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.788449 (E_RNA)
where:
Base-Base interactions energy: -239.764
where: short stacking energy: -116.281
Base-Backbone interact. energy: -0.390
local terms energy: -130.635096
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -29.175
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -27.687
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: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -265.154744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.154744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.154744 (E_RNA)
where:
Base-Base interactions energy: -160.789
where: short stacking energy: -77.309
Base-Backbone interact. energy: -0.633
local terms energy: -103.732702
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -248.751194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.751194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.751194 (E_RNA)
where:
Base-Base interactions energy: -155.016
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.820
local terms energy: -92.914878
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -158.695295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.695295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.695295 (E_RNA)
where:
Base-Base interactions energy: -70.101
where: short stacking energy: -55.704
Base-Backbone interact. energy: -1.010
local terms energy: -87.584288
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -0.526
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: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -124.795557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.795557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.795557 (E_RNA)
where:
Base-Base interactions energy: -46.495
where: short stacking energy: -44.375
Base-Backbone interact. energy: 1.731
local terms energy: -80.031977
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -473.781223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.781223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.781223 (E_RNA)
where:
Base-Base interactions energy: -314.780
where: short stacking energy: -137.023
Base-Backbone interact. energy: -0.810
local terms energy: -158.191652
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -21.954
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -471.590717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.590717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.590717 (E_RNA)
where:
Base-Base interactions energy: -325.513
where: short stacking energy: -134.245
Base-Backbone interact. energy: -0.516
local terms energy: -145.561375
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -38.328
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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -446.728084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.728084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.728084 (E_RNA)
where:
Base-Base interactions energy: -294.732
where: short stacking energy: -136.043
Base-Backbone interact. energy: -0.173
local terms energy: -151.823059
where:
bonds (distance) C4'-P energy: -27.559
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -396.401644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.401644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.401644 (E_RNA)
where:
Base-Base interactions energy: -252.018
where: short stacking energy: -121.433
Base-Backbone interact. energy: -0.095
local terms energy: -144.288590
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -34.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -309.050789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.050789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.050789 (E_RNA)
where:
Base-Base interactions energy: -190.951
where: short stacking energy: -92.356
Base-Backbone interact. energy: -1.922
local terms energy: -116.177388
where:
bonds (distance) C4'-P energy: -27.716
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -361.234291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.234291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.234291 (E_RNA)
where:
Base-Base interactions energy: -234.451
where: short stacking energy: -113.492
Base-Backbone interact. energy: 0.674
local terms energy: -127.457479
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -21.554
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: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -279.016855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.016855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.016855 (E_RNA)
where:
Base-Base interactions energy: -164.056
where: short stacking energy: -93.960
Base-Backbone interact. energy: -0.253
local terms energy: -114.707835
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -19.147
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: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -251.654268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.654268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.654268 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -74.818
Base-Backbone interact. energy: 0.008
local terms energy: -103.135362
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -178.330726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.330726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.330726 (E_RNA)
where:
Base-Base interactions energy: -97.362
where: short stacking energy: -45.467
Base-Backbone interact. energy: -0.491
local terms energy: -80.478371
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: 1.559
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: 193
Temperature: 1.350000
Total energy: -133.146429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.146429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.146429 (E_RNA)
where:
Base-Base interactions energy: -39.779
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.354
local terms energy: -93.013201
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -24.302
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -470.351076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.351076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.351076 (E_RNA)
where:
Base-Base interactions energy: -323.076
where: short stacking energy: -140.167
Base-Backbone interact. energy: -0.990
local terms energy: -146.284773
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -47.151
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: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -491.055351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.055351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.055351 (E_RNA)
where:
Base-Base interactions energy: -333.073
where: short stacking energy: -145.809
Base-Backbone interact. energy: -0.191
local terms energy: -157.791559
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -45.415
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: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -414.559941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.559941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.559941 (E_RNA)
where:
Base-Base interactions energy: -267.064
where: short stacking energy: -137.777
Base-Backbone interact. energy: -0.303
local terms energy: -147.192361
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -31.749
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -40.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -418.771210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.771210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.771210 (E_RNA)
where:
Base-Base interactions energy: -289.377
where: short stacking energy: -125.482
Base-Backbone interact. energy: 0.074
local terms energy: -129.468167
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -13.579
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: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -362.730927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.730927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.730927 (E_RNA)
where:
Base-Base interactions energy: -233.146
where: short stacking energy: -112.425
Base-Backbone interact. energy: -0.352
local terms energy: -129.232726
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: -29.664
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: 194
Temperature: 1.150000
Total energy: -298.935880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.935880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.935880 (E_RNA)
where:
Base-Base interactions energy: -182.956
where: short stacking energy: -96.823
Base-Backbone interact. energy: 0.058
local terms energy: -116.037876
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -21.706
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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -243.008744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.008744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.008744 (E_RNA)
where:
Base-Base interactions energy: -134.953
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.677
local terms energy: -107.378646
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -29.610
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -11.661
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: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -253.878295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.878295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.878295 (E_RNA)
where:
Base-Base interactions energy: -153.006
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.883
local terms energy: -99.988969
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -130.780581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.780581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.780581 (E_RNA)
where:
Base-Base interactions energy: -61.287
where: short stacking energy: -39.550
Base-Backbone interact. energy: 0.667
local terms energy: -70.160733
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: 3.176
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: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -174.005240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.005240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.005240 (E_RNA)
where:
Base-Base interactions energy: -93.341
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.297
local terms energy: -80.367350
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -472.618544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.618544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.618544 (E_RNA)
where:
Base-Base interactions energy: -322.458
where: short stacking energy: -146.315
Base-Backbone interact. energy: -1.308
local terms energy: -148.853079
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -44.452
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: 195
Temperature: 0.950000
Total energy: -442.133859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.133859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.133859 (E_RNA)
where:
Base-Base interactions energy: -293.950
where: short stacking energy: -132.296
Base-Backbone interact. energy: -0.011
local terms energy: -148.172511
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -38.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -473.541808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.541808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.541808 (E_RNA)
where:
Base-Base interactions energy: -328.298
where: short stacking energy: -135.205
Base-Backbone interact. energy: -1.468
local terms energy: -143.775924
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -20.483
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: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -418.517117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.517117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.517117 (E_RNA)
where:
Base-Base interactions energy: -270.691
where: short stacking energy: -122.654
Base-Backbone interact. energy: -0.109
local terms energy: -147.716870
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -39.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -371.058682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.058682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.058682 (E_RNA)
where:
Base-Base interactions energy: -247.446
where: short stacking energy: -108.456
Base-Backbone interact. energy: 0.855
local terms energy: -124.467720
where:
bonds (distance) C4'-P energy: -28.648
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -29.984
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: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -301.929234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.929234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.929234 (E_RNA)
where:
Base-Base interactions energy: -188.895
where: short stacking energy: -90.934
Base-Backbone interact. energy: -0.317
local terms energy: -112.716575
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -26.358
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: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -254.030620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.030620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.030620 (E_RNA)
where:
Base-Base interactions energy: -138.490
where: short stacking energy: -65.289
Base-Backbone interact. energy: 0.152
local terms energy: -115.692626
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -244.529919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.529919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.529919 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -75.255
Base-Backbone interact. energy: 2.218
local terms energy: -104.895854
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -13.066
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: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -146.931775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.931775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.931775 (E_RNA)
where:
Base-Base interactions energy: -61.897
where: short stacking energy: -40.975
Base-Backbone interact. energy: 10.110
local terms energy: -95.144692
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -144.135374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.135374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.135374 (E_RNA)
where:
Base-Base interactions energy: -62.322
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.460
local terms energy: -81.353524
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -476.660308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.660308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.660308 (E_RNA)
where:
Base-Base interactions energy: -320.308
where: short stacking energy: -140.066
Base-Backbone interact. energy: -0.318
local terms energy: -156.034333
where:
bonds (distance) C4'-P energy: -27.667
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -45.202
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: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -426.585879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.585879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.585879 (E_RNA)
where:
Base-Base interactions energy: -285.255
where: short stacking energy: -132.185
Base-Backbone interact. energy: -0.214
local terms energy: -141.116647
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -36.244
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: 196
Temperature: 1.000000
Total energy: -454.004843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.004843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.004843 (E_RNA)
where:
Base-Base interactions energy: -314.878
where: short stacking energy: -132.015
Base-Backbone interact. energy: -0.275
local terms energy: -138.851976
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -37.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -421.052642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.052642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.052642 (E_RNA)
where:
Base-Base interactions energy: -281.889
where: short stacking energy: -123.884
Base-Backbone interact. energy: -0.848
local terms energy: -138.316392
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -380.192933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.192933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.192933 (E_RNA)
where:
Base-Base interactions energy: -240.151
where: short stacking energy: -115.044
Base-Backbone interact. energy: 0.015
local terms energy: -140.056572
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -30.888
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -290.211134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.211134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.211134 (E_RNA)
where:
Base-Base interactions energy: -169.472
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.593
local terms energy: -120.146191
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -19.732
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: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -257.280074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.280074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.280074 (E_RNA)
where:
Base-Base interactions energy: -152.133
where: short stacking energy: -72.254
Base-Backbone interact. energy: 0.559
local terms energy: -105.705936
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -228.729533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.729533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.729533 (E_RNA)
where:
Base-Base interactions energy: -122.605
where: short stacking energy: -72.954
Base-Backbone interact. energy: -1.167
local terms energy: -104.957429
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -139.777530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.777530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.777530 (E_RNA)
where:
Base-Base interactions energy: -50.935
where: short stacking energy: -33.281
Base-Backbone interact. energy: 0.195
local terms energy: -89.037326
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -6.843
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: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -123.186193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.186193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.186193 (E_RNA)
where:
Base-Base interactions energy: -44.484
where: short stacking energy: -41.868
Base-Backbone interact. energy: -0.388
local terms energy: -78.314507
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -1.271
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: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -470.302872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.302872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.302872 (E_RNA)
where:
Base-Base interactions energy: -315.684
where: short stacking energy: -143.343
Base-Backbone interact. energy: -1.093
local terms energy: -153.526207
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -41.499
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: 197
Temperature: 0.950000
Total energy: -471.167035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.167035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.167035 (E_RNA)
where:
Base-Base interactions energy: -327.835
where: short stacking energy: -137.595
Base-Backbone interact. energy: 0.017
local terms energy: -143.348881
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -35.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -419.471065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.471065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.471065 (E_RNA)
where:
Base-Base interactions energy: -285.393
where: short stacking energy: -124.564
Base-Backbone interact. energy: -0.297
local terms energy: -133.781292
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -452.611486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.611486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.611486 (E_RNA)
where:
Base-Base interactions energy: -311.410
where: short stacking energy: -142.019
Base-Backbone interact. energy: -0.282
local terms energy: -140.919395
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -40.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -388.843200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.843200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.843200 (E_RNA)
where:
Base-Base interactions energy: -251.634
where: short stacking energy: -121.240
Base-Backbone interact. energy: -0.342
local terms energy: -136.866965
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -31.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -299.783935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.783935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.783935 (E_RNA)
where:
Base-Base interactions energy: -175.020
where: short stacking energy: -98.285
Base-Backbone interact. energy: -0.126
local terms energy: -124.637675
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -24.417
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: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -264.136540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.136540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.136540 (E_RNA)
where:
Base-Base interactions energy: -158.842
where: short stacking energy: -73.613
Base-Backbone interact. energy: 0.563
local terms energy: -105.857109
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -214.084405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.084405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.084405 (E_RNA)
where:
Base-Base interactions energy: -110.374
where: short stacking energy: -54.718
Base-Backbone interact. energy: -1.666
local terms energy: -102.044329
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -143.659996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.659996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.659996 (E_RNA)
where:
Base-Base interactions energy: -64.914
where: short stacking energy: -29.452
Base-Backbone interact. energy: 0.432
local terms energy: -79.177398
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 4.159
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: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -143.999336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.999336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.999336 (E_RNA)
where:
Base-Base interactions energy: -58.836
where: short stacking energy: -42.683
Base-Backbone interact. energy: -0.353
local terms energy: -84.810666
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -477.612147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.612147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.612147 (E_RNA)
where:
Base-Base interactions energy: -329.280
where: short stacking energy: -143.780
Base-Backbone interact. energy: -1.293
local terms energy: -147.039672
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -42.972
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: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -477.591393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.591393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.591393 (E_RNA)
where:
Base-Base interactions energy: -328.110
where: short stacking energy: -144.656
Base-Backbone interact. energy: -0.357
local terms energy: -149.124539
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -41.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -455.656454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.656454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.656454 (E_RNA)
where:
Base-Base interactions energy: -304.816
where: short stacking energy: -131.586
Base-Backbone interact. energy: -0.724
local terms energy: -150.117048
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -22.785
tors. eta vs tors. theta energy: -44.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -398.977263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.977263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.977263 (E_RNA)
where:
Base-Base interactions energy: -256.426
where: short stacking energy: -124.159
Base-Backbone interact. energy: -0.080
local terms energy: -142.471273
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -37.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -392.989110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.989110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.989110 (E_RNA)
where:
Base-Base interactions energy: -260.177
where: short stacking energy: -126.075
Base-Backbone interact. energy: -0.046
local terms energy: -132.765554
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -30.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -281.901348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.901348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.901348 (E_RNA)
where:
Base-Base interactions energy: -169.128
where: short stacking energy: -88.502
Base-Backbone interact. energy: 1.418
local terms energy: -114.191451
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -250.771079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.771079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.771079 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -91.982
Base-Backbone interact. energy: -0.381
local terms energy: -96.946308
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -11.717
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: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -199.943722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.943722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.943722 (E_RNA)
where:
Base-Base interactions energy: -114.572
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.715
local terms energy: -84.656971
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -137.893423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.893423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.893423 (E_RNA)
where:
Base-Base interactions energy: -57.494
where: short stacking energy: -35.544
Base-Backbone interact. energy: 0.035
local terms energy: -80.433564
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -24.373
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -2.446
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: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -134.466315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.466315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.466315 (E_RNA)
where:
Base-Base interactions energy: -62.976
where: short stacking energy: -38.477
Base-Backbone interact. energy: 0.053
local terms energy: -71.543374
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -477.288387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.288387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.288387 (E_RNA)
where:
Base-Base interactions energy: -326.146
where: short stacking energy: -141.611
Base-Backbone interact. energy: -0.180
local terms energy: -150.963033
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -44.290
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: 199
Temperature: 0.950000
Total energy: -488.642697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.642697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.642697 (E_RNA)
where:
Base-Base interactions energy: -326.274
where: short stacking energy: -130.273
Base-Backbone interact. energy: -1.124
local terms energy: -161.244073
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -23.365
tors. eta vs tors. theta energy: -40.768
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: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -449.478822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.478822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.478822 (E_RNA)
where:
Base-Base interactions energy: -301.076
where: short stacking energy: -130.121
Base-Backbone interact. energy: -0.897
local terms energy: -147.506495
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -33.725
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -40.014
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -426.693977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.693977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.693977 (E_RNA)
where:
Base-Base interactions energy: -281.776
where: short stacking energy: -131.314
Base-Backbone interact. energy: -0.984
local terms energy: -143.934481
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -38.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -388.227132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.227132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.227132 (E_RNA)
where:
Base-Base interactions energy: -250.060
where: short stacking energy: -114.169
Base-Backbone interact. energy: -0.093
local terms energy: -138.074008
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -35.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -298.989901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.989901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.989901 (E_RNA)
where:
Base-Base interactions energy: -182.164
where: short stacking energy: -87.889
Base-Backbone interact. energy: -0.434
local terms energy: -116.391911
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -16.944
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: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -255.667511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.667511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.667511 (E_RNA)
where:
Base-Base interactions energy: -162.359
where: short stacking energy: -72.650
Base-Backbone interact. energy: -1.664
local terms energy: -91.644486
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -12.361
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -243.317074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.317074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.317074 (E_RNA)
where:
Base-Base interactions energy: -138.837
where: short stacking energy: -67.076
Base-Backbone interact. energy: 3.202
local terms energy: -107.681938
where:
bonds (distance) C4'-P energy: -32.704
bonds (distance) P-C4' energy: -27.325
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -149.040890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.040890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.040890 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -41.705
Base-Backbone interact. energy: 0.994
local terms energy: -102.908151
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -7.827
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: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -137.295078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.295078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.295078 (E_RNA)
where:
Base-Base interactions energy: -43.096
where: short stacking energy: -43.096
Base-Backbone interact. energy: 0.395
local terms energy: -94.594455
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -27.818
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -487.983472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.983472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.983472 (E_RNA)
where:
Base-Base interactions energy: -328.461
where: short stacking energy: -141.264
Base-Backbone interact. energy: -0.366
local terms energy: -159.156312
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -48.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -482.669713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.669713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.669713 (E_RNA)
where:
Base-Base interactions energy: -335.533
where: short stacking energy: -137.643
Base-Backbone interact. energy: 0.367
local terms energy: -147.503803
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -40.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -410.918268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.918268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.918268 (E_RNA)
where:
Base-Base interactions energy: -280.773
where: short stacking energy: -137.496
Base-Backbone interact. energy: 0.421
local terms energy: -130.566174
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -443.963426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.963426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.963426 (E_RNA)
where:
Base-Base interactions energy: -296.210
where: short stacking energy: -125.780
Base-Backbone interact. energy: -0.194
local terms energy: -147.559582
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -29.576
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -40.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -382.759294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.759294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.759294 (E_RNA)
where:
Base-Base interactions energy: -249.080
where: short stacking energy: -116.711
Base-Backbone interact. energy: 0.034
local terms energy: -133.713521
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -292.675084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.675084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.675084 (E_RNA)
where:
Base-Base interactions energy: -195.697
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.421
local terms energy: -96.557209
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -265.023829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.023829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.023829 (E_RNA)
where:
Base-Base interactions energy: -162.110
where: short stacking energy: -73.537
Base-Backbone interact. energy: -0.372
local terms energy: -102.542027
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -13.039
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: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -233.936161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.936161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.936161 (E_RNA)
where:
Base-Base interactions energy: -127.746
where: short stacking energy: -56.975
Base-Backbone interact. energy: -1.629
local terms energy: -104.561406
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -144.013989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.013989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.013989 (E_RNA)
where:
Base-Base interactions energy: -64.699
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.735
local terms energy: -78.579612
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -135.819493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.819493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.819493 (E_RNA)
where:
Base-Base interactions energy: -47.587
where: short stacking energy: -38.204
Base-Backbone interact. energy: -1.076
local terms energy: -87.156730
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: 3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -477.846322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.846322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.846322 (E_RNA)
where:
Base-Base interactions energy: -323.418
where: short stacking energy: -143.979
Base-Backbone interact. energy: -0.785
local terms energy: -153.643105
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -39.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -412.947817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.947817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.947817 (E_RNA)
where:
Base-Base interactions energy: -258.711
where: short stacking energy: -130.013
Base-Backbone interact. energy: -0.032
local terms energy: -154.205346
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -39.297
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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -475.824155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.824155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.824155 (E_RNA)
where:
Base-Base interactions energy: -331.199
where: short stacking energy: -140.144
Base-Backbone interact. energy: -0.367
local terms energy: -144.258010
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -44.126
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -443.541822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.541822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.541822 (E_RNA)
where:
Base-Base interactions energy: -298.322
where: short stacking energy: -140.492
Base-Backbone interact. energy: -0.411
local terms energy: -144.808335
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -44.916
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: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -370.372245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.372245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.372245 (E_RNA)
where:
Base-Base interactions energy: -231.324
where: short stacking energy: -107.562
Base-Backbone interact. energy: -0.699
local terms energy: -138.349711
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -20.710
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: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -311.365297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.365297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.365297 (E_RNA)
where:
Base-Base interactions energy: -200.009
where: short stacking energy: -91.241
Base-Backbone interact. energy: 1.170
local terms energy: -112.526470
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -28.713
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -261.549160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.549160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.549160 (E_RNA)
where:
Base-Base interactions energy: -161.531
where: short stacking energy: -83.195
Base-Backbone interact. energy: -0.276
local terms energy: -99.742009
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -143.970129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.970129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.970129 (E_RNA)
where:
Base-Base interactions energy: -57.470
where: short stacking energy: -50.404
Base-Backbone interact. energy: 1.232
local terms energy: -87.732626
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -31.529
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -0.359
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -209.830444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.830444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.830444 (E_RNA)
where:
Base-Base interactions energy: -131.388
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.991
local terms energy: -77.451376
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -130.272992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.272992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.272992 (E_RNA)
where:
Base-Base interactions energy: -54.273
where: short stacking energy: -45.408
Base-Backbone interact. energy: 1.413
local terms energy: -77.412581
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -467.501767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.501767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.501767 (E_RNA)
where:
Base-Base interactions energy: -307.601
where: short stacking energy: -138.801
Base-Backbone interact. energy: 0.175
local terms energy: -160.075962
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -26.483
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -45.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -405.034408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.034408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.034408 (E_RNA)
where:
Base-Base interactions energy: -257.390
where: short stacking energy: -130.303
Base-Backbone interact. energy: -0.211
local terms energy: -147.433881
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -39.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -475.300802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.300802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.300802 (E_RNA)
where:
Base-Base interactions energy: -323.394
where: short stacking energy: -139.454
Base-Backbone interact. energy: -0.129
local terms energy: -151.778677
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -41.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -417.409642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.409642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.409642 (E_RNA)
where:
Base-Base interactions energy: -273.035
where: short stacking energy: -123.574
Base-Backbone interact. energy: -0.122
local terms energy: -144.253073
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -30.250
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -40.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -385.707563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.707563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.707563 (E_RNA)
where:
Base-Base interactions energy: -253.117
where: short stacking energy: -135.196
Base-Backbone interact. energy: -0.024
local terms energy: -132.566742
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -36.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -297.963273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.963273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.963273 (E_RNA)
where:
Base-Base interactions energy: -188.184
where: short stacking energy: -91.714
Base-Backbone interact. energy: -0.314
local terms energy: -109.465663
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -285.280906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.280906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.280906 (E_RNA)
where:
Base-Base interactions energy: -168.507
where: short stacking energy: -83.571
Base-Backbone interact. energy: -0.340
local terms energy: -116.434124
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -164.368703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.368703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.368703 (E_RNA)
where:
Base-Base interactions energy: -53.510
where: short stacking energy: -52.380
Base-Backbone interact. energy: 2.854
local terms energy: -113.712237
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -194.468037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.468037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.468037 (E_RNA)
where:
Base-Base interactions energy: -99.447
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.680
local terms energy: -94.341405
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -3.658
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: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -137.485051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.485051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.485051 (E_RNA)
where:
Base-Base interactions energy: -42.848
where: short stacking energy: -42.337
Base-Backbone interact. energy: 0.103
local terms energy: -94.740345
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -479.732423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.732423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.732423 (E_RNA)
where:
Base-Base interactions energy: -325.550
where: short stacking energy: -145.981
Base-Backbone interact. energy: -2.302
local terms energy: -151.880267
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -19.895
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: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -475.019475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.019475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.019475 (E_RNA)
where:
Base-Base interactions energy: -325.824
where: short stacking energy: -137.536
Base-Backbone interact. energy: 0.019
local terms energy: -149.214382
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -40.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -427.606337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.606337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.606337 (E_RNA)
where:
Base-Base interactions energy: -272.112
where: short stacking energy: -130.405
Base-Backbone interact. energy: -0.019
local terms energy: -155.475356
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: -40.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -418.780152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.780152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.780152 (E_RNA)
where:
Base-Base interactions energy: -273.160
where: short stacking energy: -128.693
Base-Backbone interact. energy: -0.308
local terms energy: -145.312175
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -45.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -379.396215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.396215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.396215 (E_RNA)
where:
Base-Base interactions energy: -243.110
where: short stacking energy: -112.607
Base-Backbone interact. energy: -0.029
local terms energy: -136.256786
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -34.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -283.641786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.641786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.641786 (E_RNA)
where:
Base-Base interactions energy: -166.679
where: short stacking energy: -77.579
Base-Backbone interact. energy: -0.576
local terms energy: -116.386745
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -270.778385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.778385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.778385 (E_RNA)
where:
Base-Base interactions energy: -155.035
where: short stacking energy: -72.866
Base-Backbone interact. energy: -2.394
local terms energy: -113.349710
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -20.480
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -279.806125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.806125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.806125 (E_RNA)
where:
Base-Base interactions energy: -165.959
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.564
local terms energy: -113.283264
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -137.357159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.357159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.357159 (E_RNA)
where:
Base-Base interactions energy: -47.975
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.416
local terms energy: -88.965716
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: 4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -140.803768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.803768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.803768 (E_RNA)
where:
Base-Base interactions energy: -50.344
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.646
local terms energy: -89.814145
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -482.277964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.277964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.277964 (E_RNA)
where:
Base-Base interactions energy: -325.372
where: short stacking energy: -137.206
Base-Backbone interact. energy: 0.077
local terms energy: -156.982891
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -43.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -460.371826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.371826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.371826 (E_RNA)
where:
Base-Base interactions energy: -310.080
where: short stacking energy: -136.112
Base-Backbone interact. energy: -2.940
local terms energy: -147.352014
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -38.362
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: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -449.694725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.694725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.694725 (E_RNA)
where:
Base-Base interactions energy: -302.363
where: short stacking energy: -135.979
Base-Backbone interact. energy: 0.136
local terms energy: -147.467056
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -43.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -402.613440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.613440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.613440 (E_RNA)
where:
Base-Base interactions energy: -268.482
where: short stacking energy: -132.563
Base-Backbone interact. energy: -0.058
local terms energy: -134.073400
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -28.178
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -38.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -395.788941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.788941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.788941 (E_RNA)
where:
Base-Base interactions energy: -260.580
where: short stacking energy: -129.982
Base-Backbone interact. energy: -0.748
local terms energy: -134.460859
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -40.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -289.445151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.445151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.445151 (E_RNA)
where:
Base-Base interactions energy: -165.675
where: short stacking energy: -83.050
Base-Backbone interact. energy: -0.215
local terms energy: -123.554925
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -27.148
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -297.013893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.013893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.013893 (E_RNA)
where:
Base-Base interactions energy: -189.488
where: short stacking energy: -91.131
Base-Backbone interact. energy: -0.212
local terms energy: -107.314184
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -241.536645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.536645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.536645 (E_RNA)
where:
Base-Base interactions energy: -135.373
where: short stacking energy: -63.883
Base-Backbone interact. energy: 0.046
local terms energy: -106.209933
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -21.319
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: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -145.714447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.714447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.714447 (E_RNA)
where:
Base-Base interactions energy: -64.044
where: short stacking energy: -55.201
Base-Backbone interact. energy: 1.790
local terms energy: -83.459917
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -125.813829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.813829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.813829 (E_RNA)
where:
Base-Base interactions energy: -44.183
where: short stacking energy: -28.990
Base-Backbone interact. energy: -1.269
local terms energy: -80.361580
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: 11.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -468.752154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.752154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.752154 (E_RNA)
where:
Base-Base interactions energy: -311.696
where: short stacking energy: -133.941
Base-Backbone interact. energy: -0.119
local terms energy: -156.937510
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -39.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -471.544914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.544914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.544914 (E_RNA)
where:
Base-Base interactions energy: -314.877
where: short stacking energy: -147.137
Base-Backbone interact. energy: 0.214
local terms energy: -156.882394
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -457.126692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.126692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.126692 (E_RNA)
where:
Base-Base interactions energy: -311.305
where: short stacking energy: -134.991
Base-Backbone interact. energy: -0.086
local terms energy: -145.734803
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -45.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -418.092674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.092674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.092674 (E_RNA)
where:
Base-Base interactions energy: -272.814
where: short stacking energy: -132.981
Base-Backbone interact. energy: -0.038
local terms energy: -145.241186
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -40.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -394.874107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.874107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.874107 (E_RNA)
where:
Base-Base interactions energy: -256.732
where: short stacking energy: -123.402
Base-Backbone interact. energy: -0.265
local terms energy: -137.876626
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -23.073
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: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -299.881960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.881960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.881960 (E_RNA)
where:
Base-Base interactions energy: -176.375
where: short stacking energy: -88.304
Base-Backbone interact. energy: 0.494
local terms energy: -124.000963
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -280.537623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.537623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.537623 (E_RNA)
where:
Base-Base interactions energy: -180.851
where: short stacking energy: -77.322
Base-Backbone interact. energy: 1.168
local terms energy: -100.854633
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -7.730
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: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -263.200493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.200493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.200493 (E_RNA)
where:
Base-Base interactions energy: -153.711
where: short stacking energy: -81.194
Base-Backbone interact. energy: -0.737
local terms energy: -108.752039
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -17.545
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: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -142.658495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.658495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.658495 (E_RNA)
where:
Base-Base interactions energy: -52.865
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.173
local terms energy: -89.620516
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -143.023551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.023551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.023551 (E_RNA)
where:
Base-Base interactions energy: -58.009
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.469
local terms energy: -84.545147
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -471.995024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.995024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.995024 (E_RNA)
where:
Base-Base interactions energy: -315.803
where: short stacking energy: -149.832
Base-Backbone interact. energy: -0.519
local terms energy: -155.673734
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -469.797211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.797211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.797211 (E_RNA)
where:
Base-Base interactions energy: -318.165
where: short stacking energy: -129.493
Base-Backbone interact. energy: 0.762
local terms energy: -152.393388
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -27.432
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -26.687
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: 206
Temperature: 1.000000
Total energy: -455.803752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.803752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.803752 (E_RNA)
where:
Base-Base interactions energy: -298.330
where: short stacking energy: -130.976
Base-Backbone interact. energy: -0.699
local terms energy: -156.775104
where:
bonds (distance) C4'-P energy: -27.927
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -23.112
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: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -402.785905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.785905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.785905 (E_RNA)
where:
Base-Base interactions energy: -264.188
where: short stacking energy: -125.589
Base-Backbone interact. energy: -0.051
local terms energy: -138.547028
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -28.108
flat angles P-C4'-P energy: -22.529
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: 206
Temperature: 1.100000
Total energy: -381.926773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.926773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.926773 (E_RNA)
where:
Base-Base interactions energy: -244.273
where: short stacking energy: -108.957
Base-Backbone interact. energy: -0.063
local terms energy: -137.591591
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -36.323
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: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -270.769410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.769410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.769410 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.207
local terms energy: -116.967315
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -20.560
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -282.215598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.215598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.215598 (E_RNA)
where:
Base-Base interactions energy: -172.981
where: short stacking energy: -75.855
Base-Backbone interact. energy: -0.787
local terms energy: -108.447517
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -15.800
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: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -255.690982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.690982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.690982 (E_RNA)
where:
Base-Base interactions energy: -160.618
where: short stacking energy: -66.713
Base-Backbone interact. energy: -1.499
local terms energy: -93.574116
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -15.588
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -141.922200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.922200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.922200 (E_RNA)
where:
Base-Base interactions energy: -62.661
where: short stacking energy: -32.851
Base-Backbone interact. energy: -2.420
local terms energy: -76.841144
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: 3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -143.163405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.163405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.163405 (E_RNA)
where:
Base-Base interactions energy: -45.347
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.409
local terms energy: -97.407960
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -473.602368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.602368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.602368 (E_RNA)
where:
Base-Base interactions energy: -318.957
where: short stacking energy: -144.515
Base-Backbone interact. energy: -0.666
local terms energy: -153.979279
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -40.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -462.587455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.587455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.587455 (E_RNA)
where:
Base-Base interactions energy: -314.881
where: short stacking energy: -133.734
Base-Backbone interact. energy: -0.054
local terms energy: -147.653069
where:
bonds (distance) C4'-P energy: -24.319
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -43.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -464.671869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.671869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.671869 (E_RNA)
where:
Base-Base interactions energy: -326.034
where: short stacking energy: -132.675
Base-Backbone interact. energy: -1.320
local terms energy: -137.318309
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -35.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -396.659504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.659504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.659504 (E_RNA)
where:
Base-Base interactions energy: -262.061
where: short stacking energy: -131.452
Base-Backbone interact. energy: -0.648
local terms energy: -133.950608
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -37.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -385.773766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.773766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.773766 (E_RNA)
where:
Base-Base interactions energy: -261.221
where: short stacking energy: -118.036
Base-Backbone interact. energy: 3.343
local terms energy: -127.896188
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -29.518
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -33.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -283.000044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.000044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.000044 (E_RNA)
where:
Base-Base interactions energy: -164.833
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.595
local terms energy: -117.572167
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -12.092
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: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -259.141016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.141016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.141016 (E_RNA)
where:
Base-Base interactions energy: -161.576
where: short stacking energy: -73.147
Base-Backbone interact. energy: -0.612
local terms energy: -96.952835
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -267.007304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.007304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.007304 (E_RNA)
where:
Base-Base interactions energy: -156.884
where: short stacking energy: -90.748
Base-Backbone interact. energy: -0.056
local terms energy: -110.067430
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -179.782410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.782410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.782410 (E_RNA)
where:
Base-Base interactions energy: -85.486
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.253
local terms energy: -94.043724
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -6.926
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: 207
Temperature: 1.350000
Total energy: -147.740506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.740506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.740506 (E_RNA)
where:
Base-Base interactions energy: -52.834
where: short stacking energy: -37.582
Base-Backbone interact. energy: -0.728
local terms energy: -94.178499
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: 3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -481.546930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.546930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.546930 (E_RNA)
where:
Base-Base interactions energy: -322.011
where: short stacking energy: -144.675
Base-Backbone interact. energy: -1.621
local terms energy: -157.914937
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -473.365075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.365075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.365075 (E_RNA)
where:
Base-Base interactions energy: -320.712
where: short stacking energy: -139.244
Base-Backbone interact. energy: 0.200
local terms energy: -152.853022
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -44.597
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: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -460.906669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.906669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.906669 (E_RNA)
where:
Base-Base interactions energy: -323.322
where: short stacking energy: -135.356
Base-Backbone interact. energy: 0.284
local terms energy: -137.868965
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -20.831
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: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -434.276033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.276033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.276033 (E_RNA)
where:
Base-Base interactions energy: -273.863
where: short stacking energy: -135.487
Base-Backbone interact. energy: -0.005
local terms energy: -160.408848
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -46.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -402.009490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.009490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.009490 (E_RNA)
where:
Base-Base interactions energy: -259.609
where: short stacking energy: -122.522
Base-Backbone interact. energy: -0.096
local terms energy: -142.304504
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -33.272
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: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -278.705226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.705226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.705226 (E_RNA)
where:
Base-Base interactions energy: -164.290
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.315
local terms energy: -114.099857
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -267.151990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.151990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.151990 (E_RNA)
where:
Base-Base interactions energy: -167.551
where: short stacking energy: -78.458
Base-Backbone interact. energy: -0.269
local terms energy: -99.331881
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -267.066276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.066276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.066276 (E_RNA)
where:
Base-Base interactions energy: -162.210
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.427
local terms energy: -104.429570
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -139.458222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.458222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.458222 (E_RNA)
where:
Base-Base interactions energy: -62.993
where: short stacking energy: -47.997
Base-Backbone interact. energy: 1.897
local terms energy: -78.362620
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -139.100445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.100445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.100445 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -37.438
Base-Backbone interact. energy: -1.520
local terms energy: -92.214565
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -477.775224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.775224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.775224 (E_RNA)
where:
Base-Base interactions energy: -323.012
where: short stacking energy: -145.984
Base-Backbone interact. energy: -0.809
local terms energy: -153.953987
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -455.346586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.346586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.346586 (E_RNA)
where:
Base-Base interactions energy: -293.432
where: short stacking energy: -143.934
Base-Backbone interact. energy: -0.592
local terms energy: -161.321865
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -33.272
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -42.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -447.958515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.958515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.958515 (E_RNA)
where:
Base-Base interactions energy: -310.665
where: short stacking energy: -130.853
Base-Backbone interact. energy: -0.937
local terms energy: -136.356322
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -35.001
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: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -398.755904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.755904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.755904 (E_RNA)
where:
Base-Base interactions energy: -262.997
where: short stacking energy: -120.610
Base-Backbone interact. energy: -0.215
local terms energy: -135.543531
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -36.492
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: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -404.219538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.219538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.219538 (E_RNA)
where:
Base-Base interactions energy: -263.927
where: short stacking energy: -129.386
Base-Backbone interact. energy: -0.005
local terms energy: -140.286779
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -44.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -267.779260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.779260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.779260 (E_RNA)
where:
Base-Base interactions energy: -164.354
where: short stacking energy: -82.981
Base-Backbone interact. energy: 1.508
local terms energy: -104.932307
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -280.313661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.313661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.313661 (E_RNA)
where:
Base-Base interactions energy: -167.585
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.399
local terms energy: -112.329427
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -10.511
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: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -272.991575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.991575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.991575 (E_RNA)
where:
Base-Base interactions energy: -162.790
where: short stacking energy: -90.415
Base-Backbone interact. energy: 0.736
local terms energy: -110.938005
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -146.709531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.709531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.709531 (E_RNA)
where:
Base-Base interactions energy: -54.429
where: short stacking energy: -42.366
Base-Backbone interact. energy: -0.277
local terms energy: -92.003046
where:
bonds (distance) C4'-P energy: -26.335
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -138.742361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.742361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.742361 (E_RNA)
where:
Base-Base interactions energy: -56.495
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.189
local terms energy: -82.058336
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -479.549485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.549485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.549485 (E_RNA)
where:
Base-Base interactions energy: -325.785
where: short stacking energy: -145.277
Base-Backbone interact. energy: 0.767
local terms energy: -154.531669
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -40.154
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: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -460.652821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.652821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.652821 (E_RNA)
where:
Base-Base interactions energy: -305.574
where: short stacking energy: -141.535
Base-Backbone interact. energy: -0.245
local terms energy: -154.833495
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -47.105
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: 210
Temperature: 1.000000
Total energy: -457.171392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.171392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.171392 (E_RNA)
where:
Base-Base interactions energy: -316.271
where: short stacking energy: -119.571
Base-Backbone interact. energy: -0.631
local terms energy: -140.268899
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -35.330
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: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -401.407739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.407739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.407739 (E_RNA)
where:
Base-Base interactions energy: -264.680
where: short stacking energy: -131.645
Base-Backbone interact. energy: -0.157
local terms energy: -136.570322
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -35.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -391.570534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.570534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.570534 (E_RNA)
where:
Base-Base interactions energy: -262.135
where: short stacking energy: -120.582
Base-Backbone interact. energy: 0.077
local terms energy: -129.512320
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -34.697
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: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -276.953794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.953794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.953794 (E_RNA)
where:
Base-Base interactions energy: -154.354
where: short stacking energy: -73.615
Base-Backbone interact. energy: -1.830
local terms energy: -120.770091
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -272.670182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.670182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.670182 (E_RNA)
where:
Base-Base interactions energy: -159.288
where: short stacking energy: -86.202
Base-Backbone interact. energy: -0.646
local terms energy: -112.736338
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -294.935140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.935140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.935140 (E_RNA)
where:
Base-Base interactions energy: -178.596
where: short stacking energy: -80.108
Base-Backbone interact. energy: -1.675
local terms energy: -114.664420
where:
bonds (distance) C4'-P energy: -26.292
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -155.889511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.889511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.889511 (E_RNA)
where:
Base-Base interactions energy: -59.854
where: short stacking energy: -52.743
Base-Backbone interact. energy: -0.012
local terms energy: -96.022959
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -137.592010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.592010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.592010 (E_RNA)
where:
Base-Base interactions energy: -68.679
where: short stacking energy: -34.696
Base-Backbone interact. energy: -0.733
local terms energy: -68.180407
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: 9.102
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: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -476.645338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.645338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.645338 (E_RNA)
where:
Base-Base interactions energy: -319.921
where: short stacking energy: -138.189
Base-Backbone interact. energy: -1.492
local terms energy: -155.232662
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -465.774853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.774853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.774853 (E_RNA)
where:
Base-Base interactions energy: -319.945
where: short stacking energy: -149.137
Base-Backbone interact. energy: -0.678
local terms energy: -145.152130
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -473.605065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.605065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.605065 (E_RNA)
where:
Base-Base interactions energy: -328.612
where: short stacking energy: -126.516
Base-Backbone interact. energy: -0.508
local terms energy: -144.485915
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -36.432
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: 211
Temperature: 1.050000
Total energy: -400.920987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.920987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.920987 (E_RNA)
where:
Base-Base interactions energy: -269.380
where: short stacking energy: -128.963
Base-Backbone interact. energy: -0.025
local terms energy: -131.515800
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -29.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -399.849320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.849320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.849320 (E_RNA)
where:
Base-Base interactions energy: -276.361
where: short stacking energy: -124.225
Base-Backbone interact. energy: -0.261
local terms energy: -123.227336
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -30.561
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: 211
Temperature: 1.150000
Total energy: -309.245677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.245677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.245677 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -88.355
Base-Backbone interact. energy: -1.151
local terms energy: -112.301948
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -19.931
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: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -267.265741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.265741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.265741 (E_RNA)
where:
Base-Base interactions energy: -150.633
where: short stacking energy: -79.353
Base-Backbone interact. energy: -1.515
local terms energy: -115.117904
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -28.699
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -286.931234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.931234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.931234 (E_RNA)
where:
Base-Base interactions energy: -188.685
where: short stacking energy: -85.634
Base-Backbone interact. energy: 0.667
local terms energy: -98.913908
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -134.494502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.494502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.494502 (E_RNA)
where:
Base-Base interactions energy: -51.751
where: short stacking energy: -37.467
Base-Backbone interact. energy: -0.926
local terms energy: -81.818026
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: 3.284
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: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -145.466672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.466672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.466672 (E_RNA)
where:
Base-Base interactions energy: -75.037
where: short stacking energy: -43.579
Base-Backbone interact. energy: -0.700
local terms energy: -69.729359
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: 2.069
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: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -471.292462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.292462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.292462 (E_RNA)
where:
Base-Base interactions energy: -324.121
where: short stacking energy: -141.100
Base-Backbone interact. energy: 0.254
local terms energy: -147.424763
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -35.525
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -40.896
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -471.944849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.944849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.944849 (E_RNA)
where:
Base-Base interactions energy: -319.626
where: short stacking energy: -141.108
Base-Backbone interact. energy: 1.590
local terms energy: -153.908665
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -24.828
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: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -447.943165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.943165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.943165 (E_RNA)
where:
Base-Base interactions energy: -309.661
where: short stacking energy: -124.138
Base-Backbone interact. energy: -1.191
local terms energy: -137.090866
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -36.224
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -405.235314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.235314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.235314 (E_RNA)
where:
Base-Base interactions energy: -260.827
where: short stacking energy: -129.959
Base-Backbone interact. energy: -0.169
local terms energy: -144.239105
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -37.393
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: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -389.653548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.653548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.653548 (E_RNA)
where:
Base-Base interactions energy: -254.215
where: short stacking energy: -122.273
Base-Backbone interact. energy: -0.266
local terms energy: -135.172606
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -38.054
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: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -324.981680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.981680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.981680 (E_RNA)
where:
Base-Base interactions energy: -198.152
where: short stacking energy: -83.571
Base-Backbone interact. energy: -0.496
local terms energy: -126.334321
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -32.035
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -315.632156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.632156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.632156 (E_RNA)
where:
Base-Base interactions energy: -201.476
where: short stacking energy: -97.248
Base-Backbone interact. energy: -0.417
local terms energy: -113.739339
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -265.989784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.989784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.989784 (E_RNA)
where:
Base-Base interactions energy: -161.222
where: short stacking energy: -75.074
Base-Backbone interact. energy: 0.244
local terms energy: -105.012588
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -27.173
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -14.947
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: 212
Temperature: 1.300000
Total energy: -172.330189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.330189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.330189 (E_RNA)
where:
Base-Base interactions energy: -81.827
where: short stacking energy: -49.444
Base-Backbone interact. energy: 3.251
local terms energy: -93.754298
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -127.824161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.824161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.824161 (E_RNA)
where:
Base-Base interactions energy: -39.808
where: short stacking energy: -38.089
Base-Backbone interact. energy: 0.874
local terms energy: -88.890444
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -468.459394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.459394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.459394 (E_RNA)
where:
Base-Base interactions energy: -315.648
where: short stacking energy: -135.103
Base-Backbone interact. energy: 0.336
local terms energy: -153.147026
where:
bonds (distance) C4'-P energy: -30.182
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -43.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -469.488196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.488196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.488196 (E_RNA)
where:
Base-Base interactions energy: -316.123
where: short stacking energy: -137.249
Base-Backbone interact. energy: -1.812
local terms energy: -151.553128
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -42.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -459.433777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.433777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.433777 (E_RNA)
where:
Base-Base interactions energy: -306.806
where: short stacking energy: -127.371
Base-Backbone interact. energy: -0.456
local terms energy: -152.172616
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -407.605146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.605146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.605146 (E_RNA)
where:
Base-Base interactions energy: -259.676
where: short stacking energy: -126.728
Base-Backbone interact. energy: -2.066
local terms energy: -145.862718
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -29.195
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -25.187
tors. eta vs tors. theta energy: -38.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -403.937720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.937720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.937720 (E_RNA)
where:
Base-Base interactions energy: -265.854
where: short stacking energy: -123.142
Base-Backbone interact. energy: -0.113
local terms energy: -137.970488
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -32.868
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -37.958
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: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -317.330529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.330529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.330529 (E_RNA)
where:
Base-Base interactions energy: -219.697
where: short stacking energy: -94.157
Base-Backbone interact. energy: 0.175
local terms energy: -97.808009
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -323.505228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.505228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.505228 (E_RNA)
where:
Base-Base interactions energy: -205.854
where: short stacking energy: -85.564
Base-Backbone interact. energy: -0.406
local terms energy: -117.244614
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -259.845742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.845742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.845742 (E_RNA)
where:
Base-Base interactions energy: -175.364
where: short stacking energy: -81.776
Base-Backbone interact. energy: -0.777
local terms energy: -83.705173
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -166.721753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.721753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.721753 (E_RNA)
where:
Base-Base interactions energy: -88.590
where: short stacking energy: -45.664
Base-Backbone interact. energy: -0.617
local terms energy: -77.514575
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -131.452262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.452262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.452262 (E_RNA)
where:
Base-Base interactions energy: -52.294
where: short stacking energy: -35.721
Base-Backbone interact. energy: 0.506
local terms energy: -79.663847
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: 7.454
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: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -471.959381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.959381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.959381 (E_RNA)
where:
Base-Base interactions energy: -319.117
where: short stacking energy: -140.004
Base-Backbone interact. energy: -0.821
local terms energy: -152.021943
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -47.592
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: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -465.155260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.155260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.155260 (E_RNA)
where:
Base-Base interactions energy: -326.052
where: short stacking energy: -134.452
Base-Backbone interact. energy: -1.784
local terms energy: -137.318736
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -42.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -442.199751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.199751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.199751 (E_RNA)
where:
Base-Base interactions energy: -301.786
where: short stacking energy: -141.511
Base-Backbone interact. energy: -0.119
local terms energy: -140.294374
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -36.271
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: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -394.507918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.507918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.507918 (E_RNA)
where:
Base-Base interactions energy: -250.091
where: short stacking energy: -115.412
Base-Backbone interact. energy: -0.408
local terms energy: -144.008813
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -33.267
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: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -415.247366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.247366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.247366 (E_RNA)
where:
Base-Base interactions energy: -274.696
where: short stacking energy: -129.362
Base-Backbone interact. energy: -0.241
local terms energy: -140.310595
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -12.808
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: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -326.813855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.813855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.813855 (E_RNA)
where:
Base-Base interactions energy: -219.255
where: short stacking energy: -104.556
Base-Backbone interact. energy: -0.284
local terms energy: -107.274897
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -276.508232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.508232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.508232 (E_RNA)
where:
Base-Base interactions energy: -167.142
where: short stacking energy: -85.781
Base-Backbone interact. energy: 0.319
local terms energy: -109.684467
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -20.148
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: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -319.012298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.012298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.012298 (E_RNA)
where:
Base-Base interactions energy: -213.935
where: short stacking energy: -78.576
Base-Backbone interact. energy: -0.819
local terms energy: -104.258440
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -12.217
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: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -141.140024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.140024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.140024 (E_RNA)
where:
Base-Base interactions energy: -49.660
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.258
local terms energy: -91.222462
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -8.961
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: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -154.650147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.650147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.650147 (E_RNA)
where:
Base-Base interactions energy: -56.742
where: short stacking energy: -56.292
Base-Backbone interact. energy: 0.574
local terms energy: -98.481861
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -7.153
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: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -483.955006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.955006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.955006 (E_RNA)
where:
Base-Base interactions energy: -327.713
where: short stacking energy: -139.073
Base-Backbone interact. energy: 1.354
local terms energy: -157.595985
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -42.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -472.381655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.381655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.381655 (E_RNA)
where:
Base-Base interactions energy: -317.561
where: short stacking energy: -133.642
Base-Backbone interact. energy: -1.025
local terms energy: -153.795122
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -40.081
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: 215
Temperature: 1.000000
Total energy: -435.761193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.761193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.761193 (E_RNA)
where:
Base-Base interactions energy: -289.722
where: short stacking energy: -134.994
Base-Backbone interact. energy: -0.274
local terms energy: -145.765129
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -39.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -400.728725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.728725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.728725 (E_RNA)
where:
Base-Base interactions energy: -256.418
where: short stacking energy: -122.032
Base-Backbone interact. energy: -0.365
local terms energy: -143.945802
where:
bonds (distance) C4'-P energy: -25.004
bonds (distance) P-C4' energy: -30.518
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -34.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -404.670127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.670127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.670127 (E_RNA)
where:
Base-Base interactions energy: -259.865
where: short stacking energy: -125.140
Base-Backbone interact. energy: -0.343
local terms energy: -144.461637
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -38.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -290.895838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.895838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.895838 (E_RNA)
where:
Base-Base interactions energy: -166.233
where: short stacking energy: -82.210
Base-Backbone interact. energy: -0.075
local terms energy: -124.587166
where:
bonds (distance) C4'-P energy: -28.526
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -306.749912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.749912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.749912 (E_RNA)
where:
Base-Base interactions energy: -185.652
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.291
local terms energy: -120.806807
where:
bonds (distance) C4'-P energy: -25.079
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -316.335335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.335335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.335335 (E_RNA)
where:
Base-Base interactions energy: -204.183
where: short stacking energy: -77.351
Base-Backbone interact. energy: 1.175
local terms energy: -113.326684
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -139.998531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.998531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.998531 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -38.379
Base-Backbone interact. energy: -0.287
local terms energy: -100.678045
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -141.836595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.836595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.836595 (E_RNA)
where:
Base-Base interactions energy: -54.078
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.057
local terms energy: -87.702441
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -5.772
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: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -481.651927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.651927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.651927 (E_RNA)
where:
Base-Base interactions energy: -323.211
where: short stacking energy: -135.246
Base-Backbone interact. energy: -1.355
local terms energy: -157.085604
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -31.223
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -44.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -477.496292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.496292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.496292 (E_RNA)
where:
Base-Base interactions energy: -325.732
where: short stacking energy: -145.809
Base-Backbone interact. energy: -0.408
local terms energy: -151.356223
where:
bonds (distance) C4'-P energy: -32.868
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -19.991
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -439.569943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.569943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.569943 (E_RNA)
where:
Base-Base interactions energy: -287.769
where: short stacking energy: -124.916
Base-Backbone interact. energy: -1.133
local terms energy: -150.667642
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -31.298
flat angles C4'-P-C4' energy: -31.194
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -411.725295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.725295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.725295 (E_RNA)
where:
Base-Base interactions energy: -263.728
where: short stacking energy: -131.295
Base-Backbone interact. energy: -1.027
local terms energy: -146.969718
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -23.110
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: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -392.237660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.237660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.237660 (E_RNA)
where:
Base-Base interactions energy: -258.852
where: short stacking energy: -109.488
Base-Backbone interact. energy: -0.444
local terms energy: -132.941231
where:
bonds (distance) C4'-P energy: -29.739
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -31.271
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: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -285.390935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.390935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.390935 (E_RNA)
where:
Base-Base interactions energy: -172.785
where: short stacking energy: -88.962
Base-Backbone interact. energy: -0.093
local terms energy: -112.513620
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -21.237
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: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -294.238729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.238729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.238729 (E_RNA)
where:
Base-Base interactions energy: -190.243
where: short stacking energy: -83.557
Base-Backbone interact. energy: -0.700
local terms energy: -103.296446
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -278.141309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.141309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.141309 (E_RNA)
where:
Base-Base interactions energy: -186.466
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.231
local terms energy: -91.444382
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -177.102533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.102533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.102533 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -46.745
Base-Backbone interact. energy: 1.788
local terms energy: -83.828629
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -135.416967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.416967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.416967 (E_RNA)
where:
Base-Base interactions energy: -44.792
where: short stacking energy: -32.632
Base-Backbone interact. energy: 2.158
local terms energy: -92.782163
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -28.191
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: 2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -471.845537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.845537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.845537 (E_RNA)
where:
Base-Base interactions energy: -327.389
where: short stacking energy: -136.488
Base-Backbone interact. energy: -0.601
local terms energy: -143.854920
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -18.219
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: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -460.343403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.343403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.343403 (E_RNA)
where:
Base-Base interactions energy: -309.528
where: short stacking energy: -128.081
Base-Backbone interact. energy: -0.002
local terms energy: -150.813284
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -426.921039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.921039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.921039 (E_RNA)
where:
Base-Base interactions energy: -296.519
where: short stacking energy: -121.106
Base-Backbone interact. energy: -0.140
local terms energy: -130.261308
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -415.868505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.868505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.868505 (E_RNA)
where:
Base-Base interactions energy: -269.611
where: short stacking energy: -130.445
Base-Backbone interact. energy: 0.482
local terms energy: -146.739310
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -34.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -394.411922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.411922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.411922 (E_RNA)
where:
Base-Base interactions energy: -264.558
where: short stacking energy: -129.743
Base-Backbone interact. energy: -1.166
local terms energy: -128.687302
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -36.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -271.722126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.722126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.722126 (E_RNA)
where:
Base-Base interactions energy: -174.837
where: short stacking energy: -97.933
Base-Backbone interact. energy: -0.269
local terms energy: -96.615606
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -10.573
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: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -275.599332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.599332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.599332 (E_RNA)
where:
Base-Base interactions energy: -151.636
where: short stacking energy: -82.779
Base-Backbone interact. energy: -0.282
local terms energy: -123.681721
where:
bonds (distance) C4'-P energy: -30.922
bonds (distance) P-C4' energy: -28.671
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -278.895408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.895408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.895408 (E_RNA)
where:
Base-Base interactions energy: -175.204
where: short stacking energy: -88.099
Base-Backbone interact. energy: 0.937
local terms energy: -104.628564
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -182.177437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.177437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.177437 (E_RNA)
where:
Base-Base interactions energy: -87.021
where: short stacking energy: -46.894
Base-Backbone interact. energy: -0.498
local terms energy: -94.658617
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -123.824700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.824700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.824700 (E_RNA)
where:
Base-Base interactions energy: -32.092
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.259
local terms energy: -91.473836
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: 2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -476.347427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.347427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.347427 (E_RNA)
where:
Base-Base interactions energy: -320.882
where: short stacking energy: -145.628
Base-Backbone interact. energy: -1.193
local terms energy: -154.272817
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -29.854
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -461.311317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.311317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.311317 (E_RNA)
where:
Base-Base interactions energy: -309.535
where: short stacking energy: -125.300
Base-Backbone interact. energy: -1.286
local terms energy: -150.490037
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -43.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -433.134845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.134845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.134845 (E_RNA)
where:
Base-Base interactions energy: -298.864
where: short stacking energy: -123.699
Base-Backbone interact. energy: -1.203
local terms energy: -133.068273
where:
bonds (distance) C4'-P energy: -24.556
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -17.088
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: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -408.421533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.421533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.421533 (E_RNA)
where:
Base-Base interactions energy: -267.352
where: short stacking energy: -128.147
Base-Backbone interact. energy: -0.006
local terms energy: -141.064122
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -41.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -402.095812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.095812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.095812 (E_RNA)
where:
Base-Base interactions energy: -258.737
where: short stacking energy: -120.767
Base-Backbone interact. energy: -0.078
local terms energy: -143.281085
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -279.109578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.109578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.109578 (E_RNA)
where:
Base-Base interactions energy: -175.199
where: short stacking energy: -90.413
Base-Backbone interact. energy: -0.235
local terms energy: -103.676129
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -19.857
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: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -305.954766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.954766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.954766 (E_RNA)
where:
Base-Base interactions energy: -197.256
where: short stacking energy: -89.082
Base-Backbone interact. energy: -0.337
local terms energy: -108.361693
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -17.623
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -267.947943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.947943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.947943 (E_RNA)
where:
Base-Base interactions energy: -154.398
where: short stacking energy: -74.403
Base-Backbone interact. energy: 4.894
local terms energy: -118.443436
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -13.709
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: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -145.729755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.729755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.729755 (E_RNA)
where:
Base-Base interactions energy: -61.572
where: short stacking energy: -46.883
Base-Backbone interact. energy: 0.432
local terms energy: -84.590399
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -161.047545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.047545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.047545 (E_RNA)
where:
Base-Base interactions energy: -67.137
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.511
local terms energy: -93.399449
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -5.131
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: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -486.582273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.582273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.582273 (E_RNA)
where:
Base-Base interactions energy: -337.902
where: short stacking energy: -151.704
Base-Backbone interact. energy: -0.728
local terms energy: -147.951848
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -15.603
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: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -450.244907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.244907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.244907 (E_RNA)
where:
Base-Base interactions energy: -307.978
where: short stacking energy: -126.968
Base-Backbone interact. energy: -0.758
local terms energy: -141.508664
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -43.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -438.329933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.329933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.329933 (E_RNA)
where:
Base-Base interactions energy: -309.670
where: short stacking energy: -134.820
Base-Backbone interact. energy: -0.637
local terms energy: -128.023106
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -30.494
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -38.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -406.624046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.624046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.624046 (E_RNA)
where:
Base-Base interactions energy: -263.520
where: short stacking energy: -128.795
Base-Backbone interact. energy: -0.849
local terms energy: -142.255038
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -403.415699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.415699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.415699 (E_RNA)
where:
Base-Base interactions energy: -265.116
where: short stacking energy: -128.557
Base-Backbone interact. energy: 0.641
local terms energy: -138.940497
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -34.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -308.151887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.151887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.151887 (E_RNA)
where:
Base-Base interactions energy: -183.804
where: short stacking energy: -97.077
Base-Backbone interact. energy: -0.209
local terms energy: -124.138554
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -26.759
flat angles P-C4'-P energy: -21.651
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: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -268.278666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.278666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.278666 (E_RNA)
where:
Base-Base interactions energy: -157.120
where: short stacking energy: -60.941
Base-Backbone interact. energy: -1.391
local terms energy: -109.767540
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -275.535904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.535904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.535904 (E_RNA)
where:
Base-Base interactions energy: -161.841
where: short stacking energy: -71.861
Base-Backbone interact. energy: -0.581
local terms energy: -113.113189
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -161.836554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.836554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.836554 (E_RNA)
where:
Base-Base interactions energy: -72.340
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.162
local terms energy: -89.334384
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -12.368
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: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -130.903017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.903017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.903017 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -37.472
Base-Backbone interact. energy: -0.381
local terms energy: -90.869325
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: 4.674
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -465.691831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.691831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.691831 (E_RNA)
where:
Base-Base interactions energy: -312.398
where: short stacking energy: -144.329
Base-Backbone interact. energy: -0.429
local terms energy: -152.864456
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -32.515
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -480.569814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.569814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.569814 (E_RNA)
where:
Base-Base interactions energy: -324.815
where: short stacking energy: -141.863
Base-Backbone interact. energy: -1.660
local terms energy: -154.094600
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -45.235
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: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -417.757270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.757270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.757270 (E_RNA)
where:
Base-Base interactions energy: -271.251
where: short stacking energy: -132.356
Base-Backbone interact. energy: 0.567
local terms energy: -147.072516
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -25.404
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: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -432.546214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.546214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.546214 (E_RNA)
where:
Base-Base interactions energy: -301.879
where: short stacking energy: -119.843
Base-Backbone interact. energy: 0.105
local terms energy: -130.771669
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -31.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -406.467921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.467921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.467921 (E_RNA)
where:
Base-Base interactions energy: -263.218
where: short stacking energy: -124.111
Base-Backbone interact. energy: -0.264
local terms energy: -142.985332
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -36.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -280.128338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.128338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.128338 (E_RNA)
where:
Base-Base interactions energy: -172.985
where: short stacking energy: -94.134
Base-Backbone interact. energy: -0.600
local terms energy: -106.542869
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -22.397
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -266.411214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.411214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.411214 (E_RNA)
where:
Base-Base interactions energy: -163.137
where: short stacking energy: -78.811
Base-Backbone interact. energy: 1.359
local terms energy: -104.633194
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -27.499
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -257.860951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.860951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.860951 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.485
local terms energy: -117.207123
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -192.685677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.685677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.685677 (E_RNA)
where:
Base-Base interactions energy: -98.888
where: short stacking energy: -52.437
Base-Backbone interact. energy: 0.576
local terms energy: -94.374174
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -12.920
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: 220
Temperature: 1.350000
Total energy: -135.041981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.041981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.041981 (E_RNA)
where:
Base-Base interactions energy: -64.797
where: short stacking energy: -39.835
Base-Backbone interact. energy: 3.720
local terms energy: -73.964940
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: 3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -474.779025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.779025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.779025 (E_RNA)
where:
Base-Base interactions energy: -321.710
where: short stacking energy: -134.317
Base-Backbone interact. energy: -0.099
local terms energy: -152.969665
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -45.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -422.356867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.356867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.356867 (E_RNA)
where:
Base-Base interactions energy: -277.417
where: short stacking energy: -133.033
Base-Backbone interact. energy: 0.998
local terms energy: -145.938217
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -467.622080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.622080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.622080 (E_RNA)
where:
Base-Base interactions energy: -316.116
where: short stacking energy: -145.068
Base-Backbone interact. energy: 0.074
local terms energy: -151.580728
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -39.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -437.292485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.292485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.292485 (E_RNA)
where:
Base-Base interactions energy: -306.660
where: short stacking energy: -123.299
Base-Backbone interact. energy: 11.200
local terms energy: -141.832346
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -32.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -389.935644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.935644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.935644 (E_RNA)
where:
Base-Base interactions energy: -255.731
where: short stacking energy: -116.066
Base-Backbone interact. energy: 0.638
local terms energy: -134.842192
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -27.772
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -34.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -288.630559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.630559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.630559 (E_RNA)
where:
Base-Base interactions energy: -160.056
where: short stacking energy: -82.302
Base-Backbone interact. energy: 1.013
local terms energy: -129.588040
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -294.305463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.305463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.305463 (E_RNA)
where:
Base-Base interactions energy: -187.000
where: short stacking energy: -94.485
Base-Backbone interact. energy: -0.387
local terms energy: -106.918501
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -25.763
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: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -262.851370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.851370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.851370 (E_RNA)
where:
Base-Base interactions energy: -153.975
where: short stacking energy: -84.130
Base-Backbone interact. energy: -0.537
local terms energy: -108.339440
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -17.114
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: 221
Temperature: 1.300000
Total energy: -145.089334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.089334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.089334 (E_RNA)
where:
Base-Base interactions energy: -61.617
where: short stacking energy: -35.454
Base-Backbone interact. energy: 4.343
local terms energy: -87.815730
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -144.519121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.519121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.519121 (E_RNA)
where:
Base-Base interactions energy: -60.431
where: short stacking energy: -51.575
Base-Backbone interact. energy: -0.531
local terms energy: -83.556997
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -5.019
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: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -479.009510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.009510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.009510 (E_RNA)
where:
Base-Base interactions energy: -327.712
where: short stacking energy: -142.054
Base-Backbone interact. energy: -0.649
local terms energy: -150.648723
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -19.939
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: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -429.493982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.493982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.493982 (E_RNA)
where:
Base-Base interactions energy: -286.176
where: short stacking energy: -144.501
Base-Backbone interact. energy: 0.612
local terms energy: -143.930044
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -41.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -452.330885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.330885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.330885 (E_RNA)
where:
Base-Base interactions energy: -315.318
where: short stacking energy: -138.584
Base-Backbone interact. energy: 0.422
local terms energy: -137.434525
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -19.127
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -424.233586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.233586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.233586 (E_RNA)
where:
Base-Base interactions energy: -289.409
where: short stacking energy: -112.281
Base-Backbone interact. energy: -0.252
local terms energy: -134.573093
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -27.331
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -31.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -404.697442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.697442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.697442 (E_RNA)
where:
Base-Base interactions energy: -259.898
where: short stacking energy: -121.718
Base-Backbone interact. energy: 0.230
local terms energy: -145.029509
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -40.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -279.474113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.474113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.474113 (E_RNA)
where:
Base-Base interactions energy: -161.000
where: short stacking energy: -90.412
Base-Backbone interact. energy: -0.468
local terms energy: -118.005733
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -278.753669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.753669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.753669 (E_RNA)
where:
Base-Base interactions energy: -176.306
where: short stacking energy: -82.869
Base-Backbone interact. energy: -0.303
local terms energy: -102.144724
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -17.421
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: 222
Temperature: 1.250000
Total energy: -262.022232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.022232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.022232 (E_RNA)
where:
Base-Base interactions energy: -152.275
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.217
local terms energy: -109.530268
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -142.321323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.321323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.321323 (E_RNA)
where:
Base-Base interactions energy: -54.834
where: short stacking energy: -48.060
Base-Backbone interact. energy: 0.377
local terms energy: -87.863805
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -29.441
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -0.383
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: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -133.968773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.968773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.968773 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -32.390
Base-Backbone interact. energy: -1.054
local terms energy: -85.740100
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: 3.318
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: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -462.287180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.287180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.287180 (E_RNA)
where:
Base-Base interactions energy: -308.732
where: short stacking energy: -128.728
Base-Backbone interact. energy: -0.835
local terms energy: -152.720745
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -31.529
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -40.590
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: 223
Temperature: 0.950000
Total energy: -468.352213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.352213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.352213 (E_RNA)
where:
Base-Base interactions energy: -315.078
where: short stacking energy: -131.381
Base-Backbone interact. energy: -0.405
local terms energy: -152.868999
where:
bonds (distance) C4'-P energy: -31.717
bonds (distance) P-C4' energy: -32.603
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -43.051
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: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -425.480196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.480196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.480196 (E_RNA)
where:
Base-Base interactions energy: -272.069
where: short stacking energy: -138.576
Base-Backbone interact. energy: -0.828
local terms energy: -152.583140
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -43.814
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: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -413.938777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.938777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.938777 (E_RNA)
where:
Base-Base interactions energy: -266.519
where: short stacking energy: -119.499
Base-Backbone interact. energy: -0.298
local terms energy: -147.121905
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -19.125
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: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -419.795245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.795245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.795245 (E_RNA)
where:
Base-Base interactions energy: -271.145
where: short stacking energy: -123.267
Base-Backbone interact. energy: -0.688
local terms energy: -147.962804
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -28.518
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -39.903
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: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -290.345570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.345570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.345570 (E_RNA)
where:
Base-Base interactions energy: -174.834
where: short stacking energy: -80.351
Base-Backbone interact. energy: -0.977
local terms energy: -114.534455
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -266.732303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.732303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.732303 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -81.169
Base-Backbone interact. energy: -0.735
local terms energy: -107.792126
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -243.299637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.299637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.299637 (E_RNA)
where:
Base-Base interactions energy: -131.670
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.233
local terms energy: -111.397049
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -32.134
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -15.191
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: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -139.619966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.619966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.619966 (E_RNA)
where:
Base-Base interactions energy: -52.100
where: short stacking energy: -50.184
Base-Backbone interact. energy: 2.595
local terms energy: -90.115165
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -139.545149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.545149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.545149 (E_RNA)
where:
Base-Base interactions energy: -68.758
where: short stacking energy: -57.240
Base-Backbone interact. energy: 1.364
local terms energy: -72.150598
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -476.302109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.302109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.302109 (E_RNA)
where:
Base-Base interactions energy: -330.589
where: short stacking energy: -139.286
Base-Backbone interact. energy: -0.715
local terms energy: -144.998700
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -459.239522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.239522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.239522 (E_RNA)
where:
Base-Base interactions energy: -321.731
where: short stacking energy: -135.704
Base-Backbone interact. energy: -0.562
local terms energy: -136.946571
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -42.489
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: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -426.502126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.502126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.502126 (E_RNA)
where:
Base-Base interactions energy: -281.404
where: short stacking energy: -127.756
Base-Backbone interact. energy: -0.246
local terms energy: -144.851590
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -18.974
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: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -405.010512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.010512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.010512 (E_RNA)
where:
Base-Base interactions energy: -269.476
where: short stacking energy: -120.717
Base-Backbone interact. energy: -0.306
local terms energy: -135.228465
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: -31.902
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -428.183184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.183184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.183184 (E_RNA)
where:
Base-Base interactions energy: -293.669
where: short stacking energy: -134.129
Base-Backbone interact. energy: -0.806
local terms energy: -133.708290
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -18.646
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: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -300.823952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.823952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.823952 (E_RNA)
where:
Base-Base interactions energy: -172.817
where: short stacking energy: -82.949
Base-Backbone interact. energy: -0.390
local terms energy: -127.617259
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -21.842
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -271.690337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.690337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.690337 (E_RNA)
where:
Base-Base interactions energy: -162.779
where: short stacking energy: -72.150
Base-Backbone interact. energy: -1.328
local terms energy: -107.583843
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -262.156629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.156629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.156629 (E_RNA)
where:
Base-Base interactions energy: -155.077
where: short stacking energy: -61.714
Base-Backbone interact. energy: -1.499
local terms energy: -105.580133
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -141.745288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.745288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.745288 (E_RNA)
where:
Base-Base interactions energy: -53.008
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.195
local terms energy: -88.542690
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: 9.014
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: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -128.062796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.062796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.062796 (E_RNA)
where:
Base-Base interactions energy: -39.364
where: short stacking energy: -37.310
Base-Backbone interact. energy: 1.214
local terms energy: -89.912055
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: 5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -479.404415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.404415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.404415 (E_RNA)
where:
Base-Base interactions energy: -328.279
where: short stacking energy: -138.265
Base-Backbone interact. energy: -1.998
local terms energy: -149.126654
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -26.385
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -443.901450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.901450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.901450 (E_RNA)
where:
Base-Base interactions energy: -286.914
where: short stacking energy: -137.061
Base-Backbone interact. energy: -0.598
local terms energy: -156.390350
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -44.071
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: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -448.585580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.585580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.585580 (E_RNA)
where:
Base-Base interactions energy: -309.638
where: short stacking energy: -141.205
Base-Backbone interact. energy: 0.887
local terms energy: -139.834634
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -43.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -440.998716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.998716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.998716 (E_RNA)
where:
Base-Base interactions energy: -301.610
where: short stacking energy: -138.868
Base-Backbone interact. energy: -0.457
local terms energy: -138.931765
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -36.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -401.368406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.368406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.368406 (E_RNA)
where:
Base-Base interactions energy: -268.609
where: short stacking energy: -120.560
Base-Backbone interact. energy: 0.734
local terms energy: -133.493433
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -29.498
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: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -318.681058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.681058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.681058 (E_RNA)
where:
Base-Base interactions energy: -195.752
where: short stacking energy: -96.463
Base-Backbone interact. energy: -0.124
local terms energy: -122.805556
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -271.111504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.111504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.111504 (E_RNA)
where:
Base-Base interactions energy: -156.852
where: short stacking energy: -69.976
Base-Backbone interact. energy: -1.629
local terms energy: -112.630781
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -164.812025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.812025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.812025 (E_RNA)
where:
Base-Base interactions energy: -70.025
where: short stacking energy: -43.400
Base-Backbone interact. energy: -1.421
local terms energy: -93.366376
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: 1.980
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: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -251.341938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.341938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.341938 (E_RNA)
where:
Base-Base interactions energy: -147.904
where: short stacking energy: -63.629
Base-Backbone interact. energy: 2.197
local terms energy: -105.634784
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -145.856389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.856389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.856389 (E_RNA)
where:
Base-Base interactions energy: -43.888
where: short stacking energy: -41.153
Base-Backbone interact. energy: 1.084
local terms energy: -103.052402
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -477.175482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.175482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.175482 (E_RNA)
where:
Base-Base interactions energy: -335.537
where: short stacking energy: -143.210
Base-Backbone interact. energy: -0.006
local terms energy: -141.632224
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -439.213773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.213773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.213773 (E_RNA)
where:
Base-Base interactions energy: -286.036
where: short stacking energy: -140.038
Base-Backbone interact. energy: -0.031
local terms energy: -153.147040
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -44.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -446.182801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.182801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.182801 (E_RNA)
where:
Base-Base interactions energy: -295.337
where: short stacking energy: -133.925
Base-Backbone interact. energy: 0.826
local terms energy: -151.671921
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -41.471
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: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -438.316627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.316627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.316627 (E_RNA)
where:
Base-Base interactions energy: -302.948
where: short stacking energy: -133.397
Base-Backbone interact. energy: -0.376
local terms energy: -134.992989
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -14.587
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: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -404.666286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.666286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.666286 (E_RNA)
where:
Base-Base interactions energy: -247.064
where: short stacking energy: -123.753
Base-Backbone interact. energy: -0.073
local terms energy: -157.529580
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -42.989
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: 226
Temperature: 1.150000
Total energy: -305.984859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.984859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.984859 (E_RNA)
where:
Base-Base interactions energy: -197.364
where: short stacking energy: -91.274
Base-Backbone interact. energy: -0.297
local terms energy: -108.323398
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -16.844
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: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -260.229515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.229515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.229515 (E_RNA)
where:
Base-Base interactions energy: -149.880
where: short stacking energy: -73.125
Base-Backbone interact. energy: -0.636
local terms energy: -109.714198
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -173.755606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.755606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.755606 (E_RNA)
where:
Base-Base interactions energy: -91.176
where: short stacking energy: -49.471
Base-Backbone interact. energy: -0.047
local terms energy: -82.532769
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -249.919757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.919757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.919757 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.338
local terms energy: -101.946020
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -135.498560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.498560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.498560 (E_RNA)
where:
Base-Base interactions energy: -41.185
where: short stacking energy: -34.585
Base-Backbone interact. energy: -0.575
local terms energy: -93.738667
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -477.200093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.200093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.200093 (E_RNA)
where:
Base-Base interactions energy: -329.260
where: short stacking energy: -147.258
Base-Backbone interact. energy: -0.375
local terms energy: -147.564809
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -44.126
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -448.964064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.964064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.964064 (E_RNA)
where:
Base-Base interactions energy: -304.377
where: short stacking energy: -138.789
Base-Backbone interact. energy: -1.067
local terms energy: -143.520205
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -36.375
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: 227
Temperature: 1.000000
Total energy: -454.720360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.720360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.720360 (E_RNA)
where:
Base-Base interactions energy: -303.890
where: short stacking energy: -140.817
Base-Backbone interact. energy: -0.150
local terms energy: -150.679778
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -448.676292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.676292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.676292 (E_RNA)
where:
Base-Base interactions energy: -301.621
where: short stacking energy: -126.491
Base-Backbone interact. energy: -0.886
local terms energy: -146.168427
where:
bonds (distance) C4'-P energy: -28.841
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -40.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -382.867619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.867619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.867619 (E_RNA)
where:
Base-Base interactions energy: -241.911
where: short stacking energy: -134.425
Base-Backbone interact. energy: -0.618
local terms energy: -140.338697
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -42.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -287.462318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.462318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.462318 (E_RNA)
where:
Base-Base interactions energy: -170.767
where: short stacking energy: -90.364
Base-Backbone interact. energy: 1.036
local terms energy: -117.730644
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -25.744
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: 227
Temperature: 1.200000
Total energy: -273.033162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.033162 (E_RNA)
where:
Base-Base interactions energy: -157.423
where: short stacking energy: -84.925
Base-Backbone interact. energy: -1.519
local terms energy: -114.090880
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -266.848038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.848038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.848038 (E_RNA)
where:
Base-Base interactions energy: -158.105
where: short stacking energy: -72.461
Base-Backbone interact. energy: -1.868
local terms energy: -106.875291
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -25.425
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -14.963
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: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -140.351012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.351012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.351012 (E_RNA)
where:
Base-Base interactions energy: -47.751
where: short stacking energy: -38.273
Base-Backbone interact. energy: -0.347
local terms energy: -92.252681
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -136.526894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.526894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.526894 (E_RNA)
where:
Base-Base interactions energy: -57.953
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.930
local terms energy: -77.644341
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -483.912986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.912986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.912986 (E_RNA)
where:
Base-Base interactions energy: -331.777
where: short stacking energy: -129.079
Base-Backbone interact. energy: -0.663
local terms energy: -151.472714
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -17.940
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: 228
Temperature: 0.950000
Total energy: -450.846248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.846248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.846248 (E_RNA)
where:
Base-Base interactions energy: -310.582
where: short stacking energy: -134.837
Base-Backbone interact. energy: -0.307
local terms energy: -139.957346
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -449.701745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.701745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.701745 (E_RNA)
where:
Base-Base interactions energy: -301.354
where: short stacking energy: -137.867
Base-Backbone interact. energy: -0.600
local terms energy: -147.747696
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -44.346
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: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -440.952249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.952249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.952249 (E_RNA)
where:
Base-Base interactions energy: -288.560
where: short stacking energy: -128.063
Base-Backbone interact. energy: 1.464
local terms energy: -153.855895
where:
bonds (distance) C4'-P energy: -35.101
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -26.049
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: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -371.668862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.668862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.668862 (E_RNA)
where:
Base-Base interactions energy: -238.876
where: short stacking energy: -117.263
Base-Backbone interact. energy: -0.322
local terms energy: -132.470784
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -30.369
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -318.777451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.777451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.777451 (E_RNA)
where:
Base-Base interactions energy: -194.585
where: short stacking energy: -99.908
Base-Backbone interact. energy: -0.397
local terms energy: -123.795076
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -28.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -263.298367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.298367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.298367 (E_RNA)
where:
Base-Base interactions energy: -155.248
where: short stacking energy: -71.133
Base-Backbone interact. energy: -0.420
local terms energy: -107.630519
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -255.781100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.781100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.781100 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -69.804
Base-Backbone interact. energy: 1.367
local terms energy: -109.316963
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -19.751
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: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -155.533861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.533861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.533861 (E_RNA)
where:
Base-Base interactions energy: -67.991
where: short stacking energy: -49.081
Base-Backbone interact. energy: -1.620
local terms energy: -85.923389
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -0.879
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: 228
Temperature: 1.350000
Total energy: -148.542291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.542291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.542291 (E_RNA)
where:
Base-Base interactions energy: -60.873
where: short stacking energy: -47.206
Base-Backbone interact. energy: -0.219
local terms energy: -87.449756
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -474.043120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.043120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.043120 (E_RNA)
where:
Base-Base interactions energy: -324.065
where: short stacking energy: -132.455
Base-Backbone interact. energy: -0.143
local terms energy: -149.834867
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -46.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -465.121584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.121584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.121584 (E_RNA)
where:
Base-Base interactions energy: -311.395
where: short stacking energy: -136.112
Base-Backbone interact. energy: -2.295
local terms energy: -151.432036
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -41.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -438.475813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.475813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.475813 (E_RNA)
where:
Base-Base interactions energy: -297.488
where: short stacking energy: -129.662
Base-Backbone interact. energy: -0.203
local terms energy: -140.785380
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -31.827
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: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -393.066735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.066735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.066735 (E_RNA)
where:
Base-Base interactions energy: -252.300
where: short stacking energy: -130.462
Base-Backbone interact. energy: 0.323
local terms energy: -141.089922
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -30.498
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -412.727835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.727835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.727835 (E_RNA)
where:
Base-Base interactions energy: -265.885
where: short stacking energy: -129.523
Base-Backbone interact. energy: 1.804
local terms energy: -148.646637
where:
bonds (distance) C4'-P energy: -29.216
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -40.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -298.253411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.253411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.253411 (E_RNA)
where:
Base-Base interactions energy: -180.416
where: short stacking energy: -88.189
Base-Backbone interact. energy: -0.285
local terms energy: -117.552248
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -249.761718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.761718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.761718 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -69.848
Base-Backbone interact. energy: -0.456
local terms energy: -104.075563
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -246.298553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.298553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.298553 (E_RNA)
where:
Base-Base interactions energy: -145.455
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.006
local terms energy: -100.837615
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -173.183458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.183458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.183458 (E_RNA)
where:
Base-Base interactions energy: -85.731
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.630
local terms energy: -86.822705
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -138.701759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.701759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.701759 (E_RNA)
where:
Base-Base interactions energy: -54.060
where: short stacking energy: -40.130
Base-Backbone interact. energy: 0.737
local terms energy: -85.378681
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -1.781
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: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -478.316803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.316803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.316803 (E_RNA)
where:
Base-Base interactions energy: -310.235
where: short stacking energy: -135.685
Base-Backbone interact. energy: -0.084
local terms energy: -167.997385
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: -46.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -472.924892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.924892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.924892 (E_RNA)
where:
Base-Base interactions energy: -323.614
where: short stacking energy: -143.299
Base-Backbone interact. energy: 2.623
local terms energy: -151.934040
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -34.053
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -18.332
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: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -437.860828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.860828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.860828 (E_RNA)
where:
Base-Base interactions energy: -295.129
where: short stacking energy: -134.111
Base-Backbone interact. energy: -1.560
local terms energy: -141.171957
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -39.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -405.110457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.110457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.110457 (E_RNA)
where:
Base-Base interactions energy: -255.367
where: short stacking energy: -124.132
Base-Backbone interact. energy: -0.009
local terms energy: -149.734512
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -38.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -410.448735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.448735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.448735 (E_RNA)
where:
Base-Base interactions energy: -275.901
where: short stacking energy: -133.328
Base-Backbone interact. energy: 0.156
local terms energy: -134.703957
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -21.244
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: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -290.085719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.085719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.085719 (E_RNA)
where:
Base-Base interactions energy: -169.234
where: short stacking energy: -97.313
Base-Backbone interact. energy: -0.023
local terms energy: -120.828171
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -304.602519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.602519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.602519 (E_RNA)
where:
Base-Base interactions energy: -199.684
where: short stacking energy: -83.727
Base-Backbone interact. energy: -1.027
local terms energy: -103.891264
where:
bonds (distance) C4'-P energy: -27.878
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -258.853450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.853450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.853450 (E_RNA)
where:
Base-Base interactions energy: -143.570
where: short stacking energy: -76.577
Base-Backbone interact. energy: -1.539
local terms energy: -113.744540
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -136.433816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.433816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.433816 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -22.706
Base-Backbone interact. energy: -0.236
local terms energy: -92.833689
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -132.008213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.008213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.008213 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.802
local terms energy: -90.058600
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: 0.978
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: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -483.287847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.287847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.287847 (E_RNA)
where:
Base-Base interactions energy: -321.615
where: short stacking energy: -134.644
Base-Backbone interact. energy: -0.416
local terms energy: -161.256247
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -31.230
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -466.539554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.539554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.539554 (E_RNA)
where:
Base-Base interactions energy: -329.359
where: short stacking energy: -153.136
Base-Backbone interact. energy: -0.618
local terms energy: -136.563078
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -43.426
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: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -417.416009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.416009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.416009 (E_RNA)
where:
Base-Base interactions energy: -292.223
where: short stacking energy: -129.774
Base-Backbone interact. energy: -0.097
local terms energy: -125.096470
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -405.346537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.346537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.346537 (E_RNA)
where:
Base-Base interactions energy: -266.681
where: short stacking energy: -141.126
Base-Backbone interact. energy: -0.132
local terms energy: -138.534127
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -39.368
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -403.994847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.994847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.994847 (E_RNA)
where:
Base-Base interactions energy: -266.008
where: short stacking energy: -125.097
Base-Backbone interact. energy: -0.024
local terms energy: -137.962651
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -19.225
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: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -294.932746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.932746 (E_RNA)
where:
Base-Base interactions energy: -192.944
where: short stacking energy: -88.644
Base-Backbone interact. energy: 1.592
local terms energy: -103.580431
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -12.622
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: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -259.603802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.603802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.603802 (E_RNA)
where:
Base-Base interactions energy: -147.774
where: short stacking energy: -77.763
Base-Backbone interact. energy: -0.184
local terms energy: -111.646406
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -253.236588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.236588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.236588 (E_RNA)
where:
Base-Base interactions energy: -151.109
where: short stacking energy: -78.276
Base-Backbone interact. energy: 1.691
local terms energy: -103.818501
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -13.270
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: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -146.106938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.106938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.106938 (E_RNA)
where:
Base-Base interactions energy: -54.690
where: short stacking energy: -44.584
Base-Backbone interact. energy: -0.204
local terms energy: -91.213228
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -159.429324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.429324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.429324 (E_RNA)
where:
Base-Base interactions energy: -76.854
where: short stacking energy: -51.852
Base-Backbone interact. energy: -0.669
local terms energy: -81.906121
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -0.720
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -469.352543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.352543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.352543 (E_RNA)
where:
Base-Base interactions energy: -315.164
where: short stacking energy: -144.803
Base-Backbone interact. energy: 1.200
local terms energy: -155.388923
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -39.516
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -467.109279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.109279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.109279 (E_RNA)
where:
Base-Base interactions energy: -313.942
where: short stacking energy: -133.118
Base-Backbone interact. energy: -0.122
local terms energy: -153.045909
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -46.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -417.942962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.942962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.942962 (E_RNA)
where:
Base-Base interactions energy: -269.535
where: short stacking energy: -135.220
Base-Backbone interact. energy: -0.001
local terms energy: -148.406242
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -41.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -414.538879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.538879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.538879 (E_RNA)
where:
Base-Base interactions energy: -279.069
where: short stacking energy: -118.170
Base-Backbone interact. energy: -0.262
local terms energy: -135.207454
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -33.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -404.233104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.233104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.233104 (E_RNA)
where:
Base-Base interactions energy: -266.183
where: short stacking energy: -130.393
Base-Backbone interact. energy: -0.201
local terms energy: -137.848586
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -38.365
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: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -317.609756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.609756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.609756 (E_RNA)
where:
Base-Base interactions energy: -198.971
where: short stacking energy: -92.201
Base-Backbone interact. energy: -0.013
local terms energy: -118.625656
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -28.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -258.103623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.103623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.103623 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -82.333
Base-Backbone interact. energy: -1.116
local terms energy: -105.089413
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -15.324
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: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -250.345310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.345310 (E_RNA)
where:
Base-Base interactions energy: -142.596
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.342
local terms energy: -107.407014
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -149.071044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.071044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.071044 (E_RNA)
where:
Base-Base interactions energy: -44.139
where: short stacking energy: -38.216
Base-Backbone interact. energy: -0.603
local terms energy: -104.328862
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -29.967
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -5.269
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: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -132.667819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.667819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.667819 (E_RNA)
where:
Base-Base interactions energy: -44.406
where: short stacking energy: -42.118
Base-Backbone interact. energy: -0.666
local terms energy: -87.596118
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -476.046035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.046035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.046035 (E_RNA)
where:
Base-Base interactions energy: -322.039
where: short stacking energy: -144.488
Base-Backbone interact. energy: -0.571
local terms energy: -153.435935
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -44.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -471.208810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.208810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.208810 (E_RNA)
where:
Base-Base interactions energy: -319.105
where: short stacking energy: -139.477
Base-Backbone interact. energy: -0.033
local terms energy: -152.070978
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -29.656
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -43.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -416.682415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.682415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.682415 (E_RNA)
where:
Base-Base interactions energy: -271.860
where: short stacking energy: -138.562
Base-Backbone interact. energy: -0.209
local terms energy: -144.613250
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -37.452
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: 233
Temperature: 1.050000
Total energy: -432.526039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.526039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.526039 (E_RNA)
where:
Base-Base interactions energy: -293.319
where: short stacking energy: -128.974
Base-Backbone interact. energy: -0.358
local terms energy: -138.849324
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -35.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -404.230938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.230938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.230938 (E_RNA)
where:
Base-Base interactions energy: -264.236
where: short stacking energy: -130.233
Base-Backbone interact. energy: -0.026
local terms energy: -139.968303
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -44.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -342.985864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.985864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.985864 (E_RNA)
where:
Base-Base interactions energy: -210.567
where: short stacking energy: -93.929
Base-Backbone interact. energy: -1.400
local terms energy: -131.018576
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -23.316
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: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -253.769959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.769959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.769959 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -65.515
Base-Backbone interact. energy: 0.630
local terms energy: -111.795172
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -271.545807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.545807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.545807 (E_RNA)
where:
Base-Base interactions energy: -175.312
where: short stacking energy: -89.148
Base-Backbone interact. energy: 0.481
local terms energy: -96.714300
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -138.752354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.752354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.752354 (E_RNA)
where:
Base-Base interactions energy: -39.808
where: short stacking energy: -33.903
Base-Backbone interact. energy: -1.202
local terms energy: -97.742587
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: 5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -155.621383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.621383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.621383 (E_RNA)
where:
Base-Base interactions energy: -56.376
where: short stacking energy: -48.660
Base-Backbone interact. energy: -0.536
local terms energy: -98.709392
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -28.216
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -475.941336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.941336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.941336 (E_RNA)
where:
Base-Base interactions energy: -330.289
where: short stacking energy: -146.133
Base-Backbone interact. energy: -0.984
local terms energy: -144.668249
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -41.592
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: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -471.439209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.439209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.439209 (E_RNA)
where:
Base-Base interactions energy: -321.211
where: short stacking energy: -129.598
Base-Backbone interact. energy: -0.465
local terms energy: -149.763940
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -46.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -409.362485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.362485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.362485 (E_RNA)
where:
Base-Base interactions energy: -265.412
where: short stacking energy: -127.863
Base-Backbone interact. energy: -0.254
local terms energy: -143.697060
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -35.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -403.339661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.339661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.339661 (E_RNA)
where:
Base-Base interactions energy: -273.522
where: short stacking energy: -120.461
Base-Backbone interact. energy: -0.302
local terms energy: -129.515833
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -383.177752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.177752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.177752 (E_RNA)
where:
Base-Base interactions energy: -258.452
where: short stacking energy: -117.236
Base-Backbone interact. energy: 0.384
local terms energy: -125.109618
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -25.121
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -27.947
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: 234
Temperature: 1.150000
Total energy: -355.190223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.190223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.190223 (E_RNA)
where:
Base-Base interactions energy: -224.667
where: short stacking energy: -114.911
Base-Backbone interact. energy: -0.709
local terms energy: -129.814051
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -35.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -235.068392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.068392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.068392 (E_RNA)
where:
Base-Base interactions energy: -134.454
where: short stacking energy: -66.322
Base-Backbone interact. energy: -0.281
local terms energy: -100.334084
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -275.983217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.983217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.983217 (E_RNA)
where:
Base-Base interactions energy: -176.485
where: short stacking energy: -79.146
Base-Backbone interact. energy: 2.090
local terms energy: -101.588313
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -150.508465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.508465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.508465 (E_RNA)
where:
Base-Base interactions energy: -65.103
where: short stacking energy: -44.721
Base-Backbone interact. energy: 2.541
local terms energy: -87.946067
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -155.164770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.164770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.164770 (E_RNA)
where:
Base-Base interactions energy: -68.609
where: short stacking energy: -42.428
Base-Backbone interact. energy: -0.768
local terms energy: -85.787000
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -1.750
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: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -470.789230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.789230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.789230 (E_RNA)
where:
Base-Base interactions energy: -318.859
where: short stacking energy: -132.148
Base-Backbone interact. energy: -0.861
local terms energy: -151.069013
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -43.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -440.207457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.207457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.207457 (E_RNA)
where:
Base-Base interactions energy: -287.584
where: short stacking energy: -144.082
Base-Backbone interact. energy: -0.002
local terms energy: -152.621333
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -34.898
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -41.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -437.648841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.648841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.648841 (E_RNA)
where:
Base-Base interactions energy: -295.730
where: short stacking energy: -139.172
Base-Backbone interact. energy: -0.326
local terms energy: -141.592792
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -45.589
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: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -421.216502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.216502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.216502 (E_RNA)
where:
Base-Base interactions energy: -276.471
where: short stacking energy: -130.393
Base-Backbone interact. energy: 0.259
local terms energy: -145.004472
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -39.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -397.762445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.762445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.762445 (E_RNA)
where:
Base-Base interactions energy: -265.632
where: short stacking energy: -112.795
Base-Backbone interact. energy: -0.459
local terms energy: -131.671422
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -31.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -348.025203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.025203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.025203 (E_RNA)
where:
Base-Base interactions energy: -226.447
where: short stacking energy: -94.286
Base-Backbone interact. energy: -0.391
local terms energy: -121.186419
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -29.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -261.377585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.377585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.377585 (E_RNA)
where:
Base-Base interactions energy: -143.496
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.972
local terms energy: -116.910090
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -15.191
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -261.753831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.753831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.753831 (E_RNA)
where:
Base-Base interactions energy: -165.086
where: short stacking energy: -80.675
Base-Backbone interact. energy: -0.663
local terms energy: -96.005173
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -134.050146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.050146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.050146 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -46.679
Base-Backbone interact. energy: -0.563
local terms energy: -86.807892
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -155.112494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.112494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.112494 (E_RNA)
where:
Base-Base interactions energy: -74.788
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.824
local terms energy: -79.501168
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -481.516350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.516350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.516350 (E_RNA)
where:
Base-Base interactions energy: -326.883
where: short stacking energy: -146.963
Base-Backbone interact. energy: -0.391
local terms energy: -154.242905
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -23.416
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: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -444.313878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.313878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.313878 (E_RNA)
where:
Base-Base interactions energy: -285.314
where: short stacking energy: -144.961
Base-Backbone interact. energy: -0.520
local terms energy: -158.479795
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -42.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -442.485762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.485762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.485762 (E_RNA)
where:
Base-Base interactions energy: -303.037
where: short stacking energy: -126.965
Base-Backbone interact. energy: -0.744
local terms energy: -138.704559
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -38.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -414.348694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.348694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.348694 (E_RNA)
where:
Base-Base interactions energy: -261.974
where: short stacking energy: -128.060
Base-Backbone interact. energy: 0.031
local terms energy: -152.405827
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -37.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -401.557895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.557895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.557895 (E_RNA)
where:
Base-Base interactions energy: -257.162
where: short stacking energy: -99.075
Base-Backbone interact. energy: -0.177
local terms energy: -144.218133
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -345.737971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.737971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.737971 (E_RNA)
where:
Base-Base interactions energy: -217.921
where: short stacking energy: -100.459
Base-Backbone interact. energy: -0.071
local terms energy: -127.746230
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -259.885445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.885445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.885445 (E_RNA)
where:
Base-Base interactions energy: -157.285
where: short stacking energy: -79.159
Base-Backbone interact. energy: -0.526
local terms energy: -102.074123
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -233.966577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.966577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.966577 (E_RNA)
where:
Base-Base interactions energy: -136.470
where: short stacking energy: -45.083
Base-Backbone interact. energy: 2.860
local terms energy: -100.356070
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -31.081
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -5.657
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: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -141.740701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.740701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.740701 (E_RNA)
where:
Base-Base interactions energy: -44.262
where: short stacking energy: -41.236
Base-Backbone interact. energy: 0.082
local terms energy: -97.561410
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -132.294263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.294263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.294263 (E_RNA)
where:
Base-Base interactions energy: -60.326
where: short stacking energy: -51.868
Base-Backbone interact. energy: 0.978
local terms energy: -72.946656
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: 2.131
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -483.330808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.330808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.330808 (E_RNA)
where:
Base-Base interactions energy: -326.133
where: short stacking energy: -146.350
Base-Backbone interact. energy: -0.906
local terms energy: -156.291657
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -30.730
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -44.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -464.159367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.159367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.159367 (E_RNA)
where:
Base-Base interactions energy: -317.021
where: short stacking energy: -130.672
Base-Backbone interact. energy: -0.892
local terms energy: -146.245922
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -37.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -423.775739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.775739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.775739 (E_RNA)
where:
Base-Base interactions energy: -275.269
where: short stacking energy: -146.103
Base-Backbone interact. energy: -0.086
local terms energy: -148.420929
where:
bonds (distance) C4'-P energy: -27.257
bonds (distance) P-C4' energy: -31.488
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -415.612682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.612682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.612682 (E_RNA)
where:
Base-Base interactions energy: -275.409
where: short stacking energy: -140.302
Base-Backbone interact. energy: -0.542
local terms energy: -139.661309
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: -42.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -386.428160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.428160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.428160 (E_RNA)
where:
Base-Base interactions energy: -253.088
where: short stacking energy: -110.852
Base-Backbone interact. energy: -0.329
local terms energy: -133.010779
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -28.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -351.622127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.622127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.622127 (E_RNA)
where:
Base-Base interactions energy: -231.009
where: short stacking energy: -105.100
Base-Backbone interact. energy: -0.723
local terms energy: -119.889927
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -26.673
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -30.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -271.833492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.833492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.833492 (E_RNA)
where:
Base-Base interactions energy: -162.641
where: short stacking energy: -77.318
Base-Backbone interact. energy: -0.010
local terms energy: -109.182420
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -21.944
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: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -265.513235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.513235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.513235 (E_RNA)
where:
Base-Base interactions energy: -170.531
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.555
local terms energy: -94.427271
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -136.419647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.419647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.419647 (E_RNA)
where:
Base-Base interactions energy: -73.997
where: short stacking energy: -31.374
Base-Backbone interact. energy: -2.004
local terms energy: -60.417895
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: 3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -130.708456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.708456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.708456 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.109
local terms energy: -78.810742
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -483.076022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.076022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.076022 (E_RNA)
where:
Base-Base interactions energy: -330.589
where: short stacking energy: -140.394
Base-Backbone interact. energy: -0.885
local terms energy: -151.602301
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -28.873
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -47.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -462.951831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.951831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.951831 (E_RNA)
where:
Base-Base interactions energy: -313.761
where: short stacking energy: -120.320
Base-Backbone interact. energy: -1.330
local terms energy: -147.861202
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -36.371
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: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -411.017336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.017336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.017336 (E_RNA)
where:
Base-Base interactions energy: -280.714
where: short stacking energy: -116.425
Base-Backbone interact. energy: -0.479
local terms energy: -129.823688
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -17.090
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: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -418.399017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.399017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.399017 (E_RNA)
where:
Base-Base interactions energy: -271.856
where: short stacking energy: -131.287
Base-Backbone interact. energy: -0.328
local terms energy: -146.215206
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -42.265
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: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -373.273692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.273692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.273692 (E_RNA)
where:
Base-Base interactions energy: -238.151
where: short stacking energy: -131.803
Base-Backbone interact. energy: -0.196
local terms energy: -134.926688
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -42.113
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -384.539552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.539552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.539552 (E_RNA)
where:
Base-Base interactions energy: -249.246
where: short stacking energy: -106.223
Base-Backbone interact. energy: -0.445
local terms energy: -134.847811
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -16.503
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: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -273.653192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.653192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.653192 (E_RNA)
where:
Base-Base interactions energy: -176.441
where: short stacking energy: -87.984
Base-Backbone interact. energy: -0.236
local terms energy: -96.976763
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -301.429182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.429182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.429182 (E_RNA)
where:
Base-Base interactions energy: -197.015
where: short stacking energy: -91.957
Base-Backbone interact. energy: -0.576
local terms energy: -103.838528
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -21.862
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: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -143.109137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.109137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.109137 (E_RNA)
where:
Base-Base interactions energy: -65.826
where: short stacking energy: -40.044
Base-Backbone interact. energy: -0.175
local terms energy: -77.107328
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: 4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -138.852904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.852904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.852904 (E_RNA)
where:
Base-Base interactions energy: -42.382
where: short stacking energy: -41.480
Base-Backbone interact. energy: 0.202
local terms energy: -96.672873
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -483.117593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.117593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.117593 (E_RNA)
where:
Base-Base interactions energy: -331.498
where: short stacking energy: -148.472
Base-Backbone interact. energy: -0.527
local terms energy: -151.092940
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -22.509
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: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -461.923944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.923944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.923944 (E_RNA)
where:
Base-Base interactions energy: -311.744
where: short stacking energy: -132.675
Base-Backbone interact. energy: 0.396
local terms energy: -150.576334
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -40.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -427.550913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.550913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.550913 (E_RNA)
where:
Base-Base interactions energy: -283.788
where: short stacking energy: -135.730
Base-Backbone interact. energy: -0.915
local terms energy: -142.847567
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -27.395
flat angles P-C4'-P energy: -21.796
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: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -406.785792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.785792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.785792 (E_RNA)
where:
Base-Base interactions energy: -268.460
where: short stacking energy: -115.932
Base-Backbone interact. energy: -0.681
local terms energy: -137.645548
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -25.510
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -34.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -400.215031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.215031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.215031 (E_RNA)
where:
Base-Base interactions energy: -261.907
where: short stacking energy: -117.453
Base-Backbone interact. energy: -0.014
local terms energy: -138.293789
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -30.045
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -35.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -327.240886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.240886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.240886 (E_RNA)
where:
Base-Base interactions energy: -202.699
where: short stacking energy: -100.532
Base-Backbone interact. energy: 0.525
local terms energy: -125.067001
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -23.656
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: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -375.653852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.653852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.653852 (E_RNA)
where:
Base-Base interactions energy: -250.771
where: short stacking energy: -104.341
Base-Backbone interact. energy: -0.270
local terms energy: -124.613186
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -27.071
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: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -272.491666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.491666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.491666 (E_RNA)
where:
Base-Base interactions energy: -164.434
where: short stacking energy: -72.842
Base-Backbone interact. energy: -0.822
local terms energy: -107.235856
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -18.878
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: 239
Temperature: 1.300000
Total energy: -142.590540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.590540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.590540 (E_RNA)
where:
Base-Base interactions energy: -52.273
where: short stacking energy: -52.273
Base-Backbone interact. energy: 1.143
local terms energy: -91.460742
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -188.770529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.770529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.770529 (E_RNA)
where:
Base-Base interactions energy: -102.481
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.703
local terms energy: -85.587014
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -468.610545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.610545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.610545 (E_RNA)
where:
Base-Base interactions energy: -318.641
where: short stacking energy: -149.039
Base-Backbone interact. energy: -1.401
local terms energy: -148.568179
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -45.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -445.581069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.581069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.581069 (E_RNA)
where:
Base-Base interactions energy: -296.801
where: short stacking energy: -125.940
Base-Backbone interact. energy: -0.385
local terms energy: -148.395057
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -39.202
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: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -425.547658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.547658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.547658 (E_RNA)
where:
Base-Base interactions energy: -273.869
where: short stacking energy: -128.209
Base-Backbone interact. energy: -0.221
local terms energy: -151.457099
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -40.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -399.924355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.924355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.924355 (E_RNA)
where:
Base-Base interactions energy: -265.012
where: short stacking energy: -120.295
Base-Backbone interact. energy: -0.172
local terms energy: -134.740175
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -31.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -413.568466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.568466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.568466 (E_RNA)
where:
Base-Base interactions energy: -274.467
where: short stacking energy: -135.235
Base-Backbone interact. energy: -0.287
local terms energy: -138.813997
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -15.912
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: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -309.928953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.928953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.928953 (E_RNA)
where:
Base-Base interactions energy: -183.459
where: short stacking energy: -90.137
Base-Backbone interact. energy: -0.090
local terms energy: -126.380132
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -24.669
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -370.750978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.750978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.750978 (E_RNA)
where:
Base-Base interactions energy: -242.148
where: short stacking energy: -104.215
Base-Backbone interact. energy: 0.123
local terms energy: -128.726074
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -263.295683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.295683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.295683 (E_RNA)
where:
Base-Base interactions energy: -167.267
where: short stacking energy: -74.635
Base-Backbone interact. energy: -0.858
local terms energy: -95.170579
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -11.801
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: 240
Temperature: 1.300000
Total energy: -182.260149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260149 (E_RNA)
where:
Base-Base interactions energy: -87.245
where: short stacking energy: -60.308
Base-Backbone interact. energy: 0.328
local terms energy: -95.343107
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -148.486658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.486658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.486658 (E_RNA)
where:
Base-Base interactions energy: -64.977
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.045
local terms energy: -83.464658
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -492.292849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.292849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.292849 (E_RNA)
where:
Base-Base interactions energy: -336.277
where: short stacking energy: -147.148
Base-Backbone interact. energy: -0.275
local terms energy: -155.741109
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -48.112
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: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -441.221289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.221289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.221289 (E_RNA)
where:
Base-Base interactions energy: -288.390
where: short stacking energy: -149.975
Base-Backbone interact. energy: -1.734
local terms energy: -151.096827
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -44.989
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -438.381597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.381597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.381597 (E_RNA)
where:
Base-Base interactions energy: -284.970
where: short stacking energy: -125.836
Base-Backbone interact. energy: -0.188
local terms energy: -153.224226
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -37.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -409.563404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.563404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.563404 (E_RNA)
where:
Base-Base interactions energy: -273.073
where: short stacking energy: -131.095
Base-Backbone interact. energy: 0.153
local terms energy: -136.644089
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -40.813
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: 241
Temperature: 1.100000
Total energy: -406.893232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.893232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.893232 (E_RNA)
where:
Base-Base interactions energy: -266.592
where: short stacking energy: -130.578
Base-Backbone interact. energy: -0.086
local terms energy: -140.215480
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -31.297
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -36.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -381.233757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.233757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.233757 (E_RNA)
where:
Base-Base interactions energy: -261.028
where: short stacking energy: -115.128
Base-Backbone interact. energy: -1.384
local terms energy: -118.821766
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -10.170
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: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -289.273314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.273314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.273314 (E_RNA)
where:
Base-Base interactions energy: -171.462
where: short stacking energy: -79.230
Base-Backbone interact. energy: -0.937
local terms energy: -116.874314
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -255.469275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.469275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.469275 (E_RNA)
where:
Base-Base interactions energy: -165.483
where: short stacking energy: -77.271
Base-Backbone interact. energy: -1.152
local terms energy: -88.834212
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -176.768886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.768886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.768886 (E_RNA)
where:
Base-Base interactions energy: -89.231
where: short stacking energy: -43.755
Base-Backbone interact. energy: -0.378
local terms energy: -87.159579
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: 0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -139.742162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.742162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.742162 (E_RNA)
where:
Base-Base interactions energy: -55.282
where: short stacking energy: -48.365
Base-Backbone interact. energy: -1.198
local terms energy: -83.262294
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: 1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -487.358396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.358396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.358396 (E_RNA)
where:
Base-Base interactions energy: -340.594
where: short stacking energy: -154.101
Base-Backbone interact. energy: -0.900
local terms energy: -145.864253
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -437.007889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.007889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.007889 (E_RNA)
where:
Base-Base interactions energy: -287.409
where: short stacking energy: -150.992
Base-Backbone interact. energy: -0.034
local terms energy: -149.564879
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -42.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -466.001836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.001836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.001836 (E_RNA)
where:
Base-Base interactions energy: -315.800
where: short stacking energy: -145.499
Base-Backbone interact. energy: -0.404
local terms energy: -149.798575
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -45.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -415.148786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.148786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.148786 (E_RNA)
where:
Base-Base interactions energy: -277.895
where: short stacking energy: -137.720
Base-Backbone interact. energy: 0.209
local terms energy: -137.462494
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -21.001
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -400.419890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.419890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.419890 (E_RNA)
where:
Base-Base interactions energy: -258.563
where: short stacking energy: -129.300
Base-Backbone interact. energy: -0.013
local terms energy: -141.844398
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -18.364
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: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -376.509119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.509119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.509119 (E_RNA)
where:
Base-Base interactions energy: -250.336
where: short stacking energy: -116.427
Base-Backbone interact. energy: -1.809
local terms energy: -124.363937
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -27.914
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -279.224724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.224724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.224724 (E_RNA)
where:
Base-Base interactions energy: -181.024
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.739
local terms energy: -97.461973
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -266.356442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.356442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.356442 (E_RNA)
where:
Base-Base interactions energy: -159.155
where: short stacking energy: -74.145
Base-Backbone interact. energy: 0.268
local terms energy: -107.469766
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -192.089257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.089257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.089257 (E_RNA)
where:
Base-Base interactions energy: -81.328
where: short stacking energy: -51.913
Base-Backbone interact. energy: 0.541
local terms energy: -111.302132
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -21.343
tors. eta vs tors. theta energy: -6.524
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -148.200562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.200562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.200562 (E_RNA)
where:
Base-Base interactions energy: -64.175
where: short stacking energy: -47.525
Base-Backbone interact. energy: -0.485
local terms energy: -83.540635
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -1.435
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: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -490.665062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.665062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.665062 (E_RNA)
where:
Base-Base interactions energy: -338.045
where: short stacking energy: -152.772
Base-Backbone interact. energy: -1.028
local terms energy: -151.592389
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -46.052
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -463.076330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.076330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.076330 (E_RNA)
where:
Base-Base interactions energy: -324.503
where: short stacking energy: -144.647
Base-Backbone interact. energy: -0.392
local terms energy: -138.181670
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -44.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -434.106949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.106949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.106949 (E_RNA)
where:
Base-Base interactions energy: -294.048
where: short stacking energy: -147.567
Base-Backbone interact. energy: -0.037
local terms energy: -140.022223
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -42.549
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: 243
Temperature: 1.050000
Total energy: -401.407968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.407968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.407968 (E_RNA)
where:
Base-Base interactions energy: -258.036
where: short stacking energy: -127.230
Base-Backbone interact. energy: 0.115
local terms energy: -143.486842
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -41.072
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: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -408.650573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.650573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.650573 (E_RNA)
where:
Base-Base interactions energy: -262.949
where: short stacking energy: -131.961
Base-Backbone interact. energy: -0.112
local terms energy: -145.589482
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -39.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -378.018960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.018960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.018960 (E_RNA)
where:
Base-Base interactions energy: -239.185
where: short stacking energy: -97.287
Base-Backbone interact. energy: -0.404
local terms energy: -138.430156
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -29.936
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -28.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -324.305624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.305624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.305624 (E_RNA)
where:
Base-Base interactions energy: -202.384
where: short stacking energy: -98.150
Base-Backbone interact. energy: -1.213
local terms energy: -120.708069
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: -28.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -297.510696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.510696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.510696 (E_RNA)
where:
Base-Base interactions energy: -183.865
where: short stacking energy: -94.452
Base-Backbone interact. energy: -0.062
local terms energy: -113.582817
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -173.421686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.421686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.421686 (E_RNA)
where:
Base-Base interactions energy: -97.213
where: short stacking energy: -48.423
Base-Backbone interact. energy: -0.472
local terms energy: -75.736909
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: 4.851
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: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -127.237044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.237044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.237044 (E_RNA)
where:
Base-Base interactions energy: -51.060
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.117
local terms energy: -76.059823
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -487.851299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.851299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.851299 (E_RNA)
where:
Base-Base interactions energy: -338.348
where: short stacking energy: -143.088
Base-Backbone interact. energy: -0.230
local terms energy: -149.273224
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -45.120
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: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -474.064705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.064705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.064705 (E_RNA)
where:
Base-Base interactions energy: -324.757
where: short stacking energy: -140.024
Base-Backbone interact. energy: -0.991
local terms energy: -148.316896
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -45.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -404.148682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.148682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.148682 (E_RNA)
where:
Base-Base interactions energy: -256.431
where: short stacking energy: -129.488
Base-Backbone interact. energy: -0.082
local terms energy: -147.635156
where:
bonds (distance) C4'-P energy: -31.160
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -42.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -409.063728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.063728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.063728 (E_RNA)
where:
Base-Base interactions energy: -270.325
where: short stacking energy: -136.262
Base-Backbone interact. energy: -0.022
local terms energy: -138.717302
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -39.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -392.062959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.062959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.062959 (E_RNA)
where:
Base-Base interactions energy: -258.639
where: short stacking energy: -120.862
Base-Backbone interact. energy: -0.505
local terms energy: -132.918719
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -14.918
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -376.748289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.748289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.748289 (E_RNA)
where:
Base-Base interactions energy: -244.318
where: short stacking energy: -111.168
Base-Backbone interact. energy: -0.227
local terms energy: -132.203246
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -27.476
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: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -336.753649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.753649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.753649 (E_RNA)
where:
Base-Base interactions energy: -211.799
where: short stacking energy: -100.591
Base-Backbone interact. energy: -1.602
local terms energy: -123.352304
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -27.980
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: 244
Temperature: 1.250000
Total energy: -253.954404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.954404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.954404 (E_RNA)
where:
Base-Base interactions energy: -148.236
where: short stacking energy: -72.901
Base-Backbone interact. energy: 0.144
local terms energy: -105.862575
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -24.554
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -145.700473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.700473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.700473 (E_RNA)
where:
Base-Base interactions energy: -52.904
where: short stacking energy: -41.911
Base-Backbone interact. energy: -0.036
local terms energy: -92.760232
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: 5.339
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: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -179.722573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.722573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.722573 (E_RNA)
where:
Base-Base interactions energy: -96.952
where: short stacking energy: -62.682
Base-Backbone interact. energy: 4.041
local terms energy: -86.811822
where:
bonds (distance) C4'-P energy: -23.115
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -10.407
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: 245
Temperature: 0.900000
Total energy: -480.750836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.750836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.750836 (E_RNA)
where:
Base-Base interactions energy: -324.755
where: short stacking energy: -140.879
Base-Backbone interact. energy: -0.527
local terms energy: -155.468300
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -42.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -470.985149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.985149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.985149 (E_RNA)
where:
Base-Base interactions energy: -319.670
where: short stacking energy: -145.283
Base-Backbone interact. energy: -0.581
local terms energy: -150.733631
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -31.455
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -41.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -408.461024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.461024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.461024 (E_RNA)
where:
Base-Base interactions energy: -260.886
where: short stacking energy: -128.848
Base-Backbone interact. energy: -0.165
local terms energy: -147.409940
where:
bonds (distance) C4'-P energy: -29.992
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -36.884
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -406.551069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.551069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.551069 (E_RNA)
where:
Base-Base interactions energy: -264.216
where: short stacking energy: -121.477
Base-Backbone interact. energy: -0.705
local terms energy: -141.629731
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -31.418
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -393.695756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.695756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.695756 (E_RNA)
where:
Base-Base interactions energy: -260.174
where: short stacking energy: -119.818
Base-Backbone interact. energy: -0.076
local terms energy: -133.446241
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -33.221
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: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -360.211496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.211496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.211496 (E_RNA)
where:
Base-Base interactions energy: -240.959
where: short stacking energy: -104.834
Base-Backbone interact. energy: 2.067
local terms energy: -121.319408
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -317.294470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.294470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.294470 (E_RNA)
where:
Base-Base interactions energy: -204.040
where: short stacking energy: -91.709
Base-Backbone interact. energy: -0.979
local terms energy: -112.275503
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -13.314
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: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -256.143545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.143545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.143545 (E_RNA)
where:
Base-Base interactions energy: -165.486
where: short stacking energy: -80.213
Base-Backbone interact. energy: -0.629
local terms energy: -90.028726
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -14.655
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: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -148.665068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.665068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.665068 (E_RNA)
where:
Base-Base interactions energy: -72.236
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.322
local terms energy: -76.107535
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -169.556135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.556135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.556135 (E_RNA)
where:
Base-Base interactions energy: -83.346
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.562
local terms energy: -85.648177
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -471.142960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.142960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.142960 (E_RNA)
where:
Base-Base interactions energy: -324.849
where: short stacking energy: -138.169
Base-Backbone interact. energy: -0.366
local terms energy: -145.927347
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -32.172
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -43.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -453.673739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.673739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.673739 (E_RNA)
where:
Base-Base interactions energy: -301.619
where: short stacking energy: -131.695
Base-Backbone interact. energy: -0.078
local terms energy: -151.976809
where:
bonds (distance) C4'-P energy: -32.969
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -41.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -413.452992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.452992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.452992 (E_RNA)
where:
Base-Base interactions energy: -274.241
where: short stacking energy: -135.538
Base-Backbone interact. energy: 0.063
local terms energy: -139.274299
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -20.218
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: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -395.933377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.933377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.933377 (E_RNA)
where:
Base-Base interactions energy: -253.826
where: short stacking energy: -131.379
Base-Backbone interact. energy: -0.167
local terms energy: -141.940971
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -41.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -392.785878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.785878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.785878 (E_RNA)
where:
Base-Base interactions energy: -272.160
where: short stacking energy: -108.149
Base-Backbone interact. energy: -0.758
local terms energy: -119.867529
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -19.118
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: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -373.802528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.802528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.802528 (E_RNA)
where:
Base-Base interactions energy: -246.618
where: short stacking energy: -114.004
Base-Backbone interact. energy: -0.244
local terms energy: -126.941180
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -33.287
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: 246
Temperature: 1.200000
Total energy: -315.852892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.852892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.852892 (E_RNA)
where:
Base-Base interactions energy: -200.463
where: short stacking energy: -101.271
Base-Backbone interact. energy: -1.607
local terms energy: -113.782440
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -267.463194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.463194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.463194 (E_RNA)
where:
Base-Base interactions energy: -161.304
where: short stacking energy: -84.219
Base-Backbone interact. energy: -0.156
local terms energy: -106.003035
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -150.807671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.807671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.807671 (E_RNA)
where:
Base-Base interactions energy: -59.461
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.592
local terms energy: -90.755113
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: 2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -162.832755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.832755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.832755 (E_RNA)
where:
Base-Base interactions energy: -75.284
where: short stacking energy: -48.066
Base-Backbone interact. energy: 0.009
local terms energy: -87.556943
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -476.999713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.999713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.999713 (E_RNA)
where:
Base-Base interactions energy: -316.314
where: short stacking energy: -141.884
Base-Backbone interact. energy: -0.475
local terms energy: -160.210384
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -21.277
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: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -439.690238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.690238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.690238 (E_RNA)
where:
Base-Base interactions energy: -299.575
where: short stacking energy: -133.936
Base-Backbone interact. energy: -0.459
local terms energy: -139.655597
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -31.169
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -37.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -443.011184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.011184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.011184 (E_RNA)
where:
Base-Base interactions energy: -288.709
where: short stacking energy: -149.108
Base-Backbone interact. energy: 0.668
local terms energy: -154.970758
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -41.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -439.553987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.553987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.553987 (E_RNA)
where:
Base-Base interactions energy: -295.826
where: short stacking energy: -121.448
Base-Backbone interact. energy: -2.135
local terms energy: -141.592777
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -30.290
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: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -394.114389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.114389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.114389 (E_RNA)
where:
Base-Base interactions energy: -265.647
where: short stacking energy: -140.922
Base-Backbone interact. energy: 0.625
local terms energy: -129.092620
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -35.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -382.641332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.641332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.641332 (E_RNA)
where:
Base-Base interactions energy: -258.095
where: short stacking energy: -112.319
Base-Backbone interact. energy: -0.023
local terms energy: -124.522758
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -34.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -290.541846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.541846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.541846 (E_RNA)
where:
Base-Base interactions energy: -184.972
where: short stacking energy: -85.398
Base-Backbone interact. energy: -0.633
local terms energy: -104.937515
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: -18.262
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -253.000892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.000892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.000892 (E_RNA)
where:
Base-Base interactions energy: -142.175
where: short stacking energy: -78.253
Base-Backbone interact. energy: 0.859
local terms energy: -111.684608
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -10.473
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: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -153.436435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.436435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.436435 (E_RNA)
where:
Base-Base interactions energy: -71.188
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.674
local terms energy: -81.575029
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -134.305073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.305073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.305073 (E_RNA)
where:
Base-Base interactions energy: -50.836
where: short stacking energy: -42.325
Base-Backbone interact. energy: -0.266
local terms energy: -83.203171
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -474.455673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.455673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.455673 (E_RNA)
where:
Base-Base interactions energy: -321.116
where: short stacking energy: -131.844
Base-Backbone interact. energy: 0.341
local terms energy: -153.680678
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -40.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -459.239498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.239498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.239498 (E_RNA)
where:
Base-Base interactions energy: -308.473
where: short stacking energy: -133.489
Base-Backbone interact. energy: -0.087
local terms energy: -150.679284
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -43.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -428.566947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.566947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.566947 (E_RNA)
where:
Base-Base interactions energy: -298.983
where: short stacking energy: -129.248
Base-Backbone interact. energy: 0.319
local terms energy: -129.902833
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -33.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -417.811810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.811810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.811810 (E_RNA)
where:
Base-Base interactions energy: -259.222
where: short stacking energy: -124.311
Base-Backbone interact. energy: -0.876
local terms energy: -157.713937
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -38.906
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: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -407.632320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.632320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.632320 (E_RNA)
where:
Base-Base interactions energy: -263.671
where: short stacking energy: -126.178
Base-Backbone interact. energy: -0.524
local terms energy: -143.436682
where:
bonds (distance) C4'-P energy: -27.172
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -40.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -368.393985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.393985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.393985 (E_RNA)
where:
Base-Base interactions energy: -234.673
where: short stacking energy: -108.616
Base-Backbone interact. energy: -0.093
local terms energy: -133.627785
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -37.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -257.322755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.322755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.322755 (E_RNA)
where:
Base-Base interactions energy: -151.469
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.396
local terms energy: -105.457279
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -278.285513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.285513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.285513 (E_RNA)
where:
Base-Base interactions energy: -176.322
where: short stacking energy: -80.226
Base-Backbone interact. energy: -0.425
local terms energy: -101.538694
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -145.393526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.393526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.393526 (E_RNA)
where:
Base-Base interactions energy: -65.989
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.604
local terms energy: -78.800604
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: 7.759
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: 248
Temperature: 1.350000
Total energy: -127.734342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.734342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.734342 (E_RNA)
where:
Base-Base interactions energy: -56.107
where: short stacking energy: -40.892
Base-Backbone interact. energy: -0.927
local terms energy: -70.700090
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -486.869513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.869513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.869513 (E_RNA)
where:
Base-Base interactions energy: -333.549
where: short stacking energy: -143.003
Base-Backbone interact. energy: -1.116
local terms energy: -152.204683
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -43.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -445.201564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.201564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.201564 (E_RNA)
where:
Base-Base interactions energy: -313.316
where: short stacking energy: -137.176
Base-Backbone interact. energy: -0.263
local terms energy: -131.621981
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -19.375
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: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -439.968017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.968017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.968017 (E_RNA)
where:
Base-Base interactions energy: -296.880
where: short stacking energy: -147.492
Base-Backbone interact. energy: -1.375
local terms energy: -141.713960
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -43.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -412.394783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.394783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.394783 (E_RNA)
where:
Base-Base interactions energy: -268.906
where: short stacking energy: -139.436
Base-Backbone interact. energy: -0.282
local terms energy: -143.206062
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -32.760
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -45.147
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -372.488325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.488325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.488325 (E_RNA)
where:
Base-Base interactions energy: -251.177
where: short stacking energy: -119.732
Base-Backbone interact. energy: -0.745
local terms energy: -120.566519
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -28.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -357.204115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.204115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.204115 (E_RNA)
where:
Base-Base interactions energy: -238.822
where: short stacking energy: -115.203
Base-Backbone interact. energy: -0.833
local terms energy: -117.549054
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -33.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -277.514997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.514997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.514997 (E_RNA)
where:
Base-Base interactions energy: -164.690
where: short stacking energy: -86.734
Base-Backbone interact. energy: 0.335
local terms energy: -113.159881
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -24.633
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: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -247.815529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.815529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.815529 (E_RNA)
where:
Base-Base interactions energy: -154.312
where: short stacking energy: -77.342
Base-Backbone interact. energy: -0.260
local terms energy: -93.244301
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -146.665603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.665603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.665603 (E_RNA)
where:
Base-Base interactions energy: -51.921
where: short stacking energy: -51.706
Base-Backbone interact. energy: -0.352
local terms energy: -94.392672
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -25.911
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -6.731
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: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -133.931578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.931578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.931578 (E_RNA)
where:
Base-Base interactions energy: -54.531
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.945
local terms energy: -78.456095
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -468.523550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.523550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.523550 (E_RNA)
where:
Base-Base interactions energy: -329.422
where: short stacking energy: -140.264
Base-Backbone interact. energy: -0.113
local terms energy: -138.988359
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -37.046
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: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -464.305200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.305200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.305200 (E_RNA)
where:
Base-Base interactions energy: -317.683
where: short stacking energy: -147.438
Base-Backbone interact. energy: -0.468
local terms energy: -146.154235
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -41.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -427.871381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.871381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.871381 (E_RNA)
where:
Base-Base interactions energy: -276.407
where: short stacking energy: -139.405
Base-Backbone interact. energy: 0.080
local terms energy: -151.544893
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -43.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -440.549907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.549907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.549907 (E_RNA)
where:
Base-Base interactions energy: -293.305
where: short stacking energy: -137.086
Base-Backbone interact. energy: -0.783
local terms energy: -146.462328
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -31.565
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -43.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -398.033221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.033221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.033221 (E_RNA)
where:
Base-Base interactions energy: -265.913
where: short stacking energy: -122.340
Base-Backbone interact. energy: 0.214
local terms energy: -132.333907
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -15.772
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: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -366.341061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.341061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.341061 (E_RNA)
where:
Base-Base interactions energy: -234.941
where: short stacking energy: -106.674
Base-Backbone interact. energy: -0.481
local terms energy: -130.919895
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -20.254
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -281.591273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.591273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.591273 (E_RNA)
where:
Base-Base interactions energy: -156.881
where: short stacking energy: -77.374
Base-Backbone interact. energy: -0.305
local terms energy: -124.405079
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -221.956617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.956617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.956617 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.410
local terms energy: -94.548322
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -26.857
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -12.141
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: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -140.796751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.796751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.796751 (E_RNA)
where:
Base-Base interactions energy: -51.786
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.461
local terms energy: -88.549470
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -141.174620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.174620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.174620 (E_RNA)
where:
Base-Base interactions energy: -57.194
where: short stacking energy: -45.264
Base-Backbone interact. energy: -0.370
local terms energy: -83.609703
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -476.559451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.559451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.559451 (E_RNA)
where:
Base-Base interactions energy: -336.694
where: short stacking energy: -130.971
Base-Backbone interact. energy: -0.151
local terms energy: -139.714335
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -35.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -442.055279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.055279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.055279 (E_RNA)
where:
Base-Base interactions energy: -288.753
where: short stacking energy: -140.228
Base-Backbone interact. energy: 0.619
local terms energy: -153.921665
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -19.162
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -451.056588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.056588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.056588 (E_RNA)
where:
Base-Base interactions energy: -310.732
where: short stacking energy: -131.844
Base-Backbone interact. energy: 0.267
local terms energy: -140.591567
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -36.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -399.941948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.941948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.941948 (E_RNA)
where:
Base-Base interactions energy: -257.882
where: short stacking energy: -120.336
Base-Backbone interact. energy: -0.077
local terms energy: -141.982539
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -30.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -408.639812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.639812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.639812 (E_RNA)
where:
Base-Base interactions energy: -257.067
where: short stacking energy: -108.456
Base-Backbone interact. energy: -0.764
local terms energy: -150.809096
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -40.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -360.301444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.301444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.301444 (E_RNA)
where:
Base-Base interactions energy: -227.773
where: short stacking energy: -113.173
Base-Backbone interact. energy: 1.125
local terms energy: -133.653336
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -30.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -264.436187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.436187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.436187 (E_RNA)
where:
Base-Base interactions energy: -158.195
where: short stacking energy: -81.672
Base-Backbone interact. energy: -0.720
local terms energy: -105.521123
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -20.073
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -232.601753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.601753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.601753 (E_RNA)
where:
Base-Base interactions energy: -134.881
where: short stacking energy: -63.038
Base-Backbone interact. energy: -1.425
local terms energy: -96.295354
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -30.905
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -137.170617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.170617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.170617 (E_RNA)
where:
Base-Base interactions energy: -53.528
where: short stacking energy: -42.207
Base-Backbone interact. energy: -0.191
local terms energy: -83.451753
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: 1.415
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: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -153.397197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.397197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.397197 (E_RNA)
where:
Base-Base interactions energy: -50.734
where: short stacking energy: -36.554
Base-Backbone interact. energy: -0.177
local terms energy: -102.486432
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -481.152035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.152035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.152035 (E_RNA)
where:
Base-Base interactions energy: -327.037
where: short stacking energy: -135.183
Base-Backbone interact. energy: -3.254
local terms energy: -150.860539
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -37.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -435.791999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.791999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.791999 (E_RNA)
where:
Base-Base interactions energy: -274.931
where: short stacking energy: -139.014
Base-Backbone interact. energy: -0.422
local terms energy: -160.439522
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -43.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -436.351959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.351959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.351959 (E_RNA)
where:
Base-Base interactions energy: -292.561
where: short stacking energy: -131.673
Base-Backbone interact. energy: -2.164
local terms energy: -141.626557
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -39.115
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: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -398.375868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.375868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.375868 (E_RNA)
where:
Base-Base interactions energy: -265.433
where: short stacking energy: -125.947
Base-Backbone interact. energy: -0.708
local terms energy: -132.234967
where:
bonds (distance) C4'-P energy: -27.628
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -33.343
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: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -445.256235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.256235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.256235 (E_RNA)
where:
Base-Base interactions energy: -291.770
where: short stacking energy: -133.800
Base-Backbone interact. energy: -0.081
local terms energy: -153.406151
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -39.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -342.495116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.495116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.495116 (E_RNA)
where:
Base-Base interactions energy: -218.885
where: short stacking energy: -101.341
Base-Backbone interact. energy: -0.835
local terms energy: -122.774356
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -28.564
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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -265.837460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.837460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.837460 (E_RNA)
where:
Base-Base interactions energy: -158.556
where: short stacking energy: -75.530
Base-Backbone interact. energy: 2.308
local terms energy: -109.589000
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -217.276789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.276789 (E_RNA)
where:
Base-Base interactions energy: -124.144
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.549
local terms energy: -92.584023
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -14.491
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -134.733316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.733316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.733316 (E_RNA)
where:
Base-Base interactions energy: -51.191
where: short stacking energy: -45.408
Base-Backbone interact. energy: -1.493
local terms energy: -82.049070
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -137.161052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.161052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.161052 (E_RNA)
where:
Base-Base interactions energy: -55.798
where: short stacking energy: -33.858
Base-Backbone interact. energy: -0.990
local terms energy: -80.373065
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -480.545760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.545760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.545760 (E_RNA)
where:
Base-Base interactions energy: -328.104
where: short stacking energy: -143.517
Base-Backbone interact. energy: -0.953
local terms energy: -151.489340
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -41.602
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: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -463.861784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.861784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.861784 (E_RNA)
where:
Base-Base interactions energy: -316.391
where: short stacking energy: -144.064
Base-Backbone interact. energy: -0.414
local terms energy: -147.056922
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -18.682
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: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -412.810411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.810411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.810411 (E_RNA)
where:
Base-Base interactions energy: -267.261
where: short stacking energy: -134.572
Base-Backbone interact. energy: -0.473
local terms energy: -145.076604
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -37.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -431.835067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.835067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.835067 (E_RNA)
where:
Base-Base interactions energy: -297.747
where: short stacking energy: -120.658
Base-Backbone interact. energy: 1.856
local terms energy: -135.943717
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -39.599
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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -397.668087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.668087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.668087 (E_RNA)
where:
Base-Base interactions energy: -252.675
where: short stacking energy: -117.529
Base-Backbone interact. energy: -0.186
local terms energy: -144.807510
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -31.395
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -36.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -272.511941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.511941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.511941 (E_RNA)
where:
Base-Base interactions energy: -161.633
where: short stacking energy: -73.017
Base-Backbone interact. energy: -0.293
local terms energy: -110.585678
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -345.778385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.778385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.778385 (E_RNA)
where:
Base-Base interactions energy: -226.100
where: short stacking energy: -93.933
Base-Backbone interact. energy: -0.702
local terms energy: -118.975891
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -18.323
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: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -236.718433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.718433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.718433 (E_RNA)
where:
Base-Base interactions energy: -136.584
where: short stacking energy: -60.567
Base-Backbone interact. energy: 0.720
local terms energy: -100.854391
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -3.269
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: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -142.882494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.882494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.882494 (E_RNA)
where:
Base-Base interactions energy: -55.719
where: short stacking energy: -45.785
Base-Backbone interact. energy: 0.161
local terms energy: -87.324286
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -141.608178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.608178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.608178 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -36.927
Base-Backbone interact. energy: -0.161
local terms energy: -95.914473
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -477.971737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.971737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.971737 (E_RNA)
where:
Base-Base interactions energy: -320.007
where: short stacking energy: -139.230
Base-Backbone interact. energy: -2.606
local terms energy: -155.358423
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -44.292
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -468.485377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.485377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.485377 (E_RNA)
where:
Base-Base interactions energy: -323.598
where: short stacking energy: -137.388
Base-Backbone interact. energy: -0.755
local terms energy: -144.132736
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -19.862
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: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -438.660216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.660216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.660216 (E_RNA)
where:
Base-Base interactions energy: -299.956
where: short stacking energy: -118.038
Base-Backbone interact. energy: -0.719
local terms energy: -137.985727
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -36.536
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: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -394.443505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.443505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.443505 (E_RNA)
where:
Base-Base interactions energy: -250.042
where: short stacking energy: -137.357
Base-Backbone interact. energy: -0.069
local terms energy: -144.331787
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -40.072
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: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -382.979351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.979351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.979351 (E_RNA)
where:
Base-Base interactions energy: -249.630
where: short stacking energy: -117.212
Base-Backbone interact. energy: -0.361
local terms energy: -132.988015
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -35.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -299.146601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.146601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.146601 (E_RNA)
where:
Base-Base interactions energy: -188.784
where: short stacking energy: -96.829
Base-Backbone interact. energy: -0.906
local terms energy: -109.456407
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -355.165966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.165966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.165966 (E_RNA)
where:
Base-Base interactions energy: -234.115
where: short stacking energy: -122.860
Base-Backbone interact. energy: -0.408
local terms energy: -120.643308
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -17.264
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: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -275.156438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.156438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.156438 (E_RNA)
where:
Base-Base interactions energy: -169.899
where: short stacking energy: -93.946
Base-Backbone interact. energy: -0.348
local terms energy: -104.909441
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -20.495
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -136.161954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.161954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.161954 (E_RNA)
where:
Base-Base interactions energy: -46.028
where: short stacking energy: -32.415
Base-Backbone interact. energy: -0.218
local terms energy: -89.915343
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -136.049882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.049882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.049882 (E_RNA)
where:
Base-Base interactions energy: -50.115
where: short stacking energy: -45.480
Base-Backbone interact. energy: 3.547
local terms energy: -89.481052
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -0.058
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: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -484.023082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.023082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.023082 (E_RNA)
where:
Base-Base interactions energy: -325.834
where: short stacking energy: -146.125
Base-Backbone interact. energy: -0.919
local terms energy: -157.269543
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -39.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -467.687598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.687598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.687598 (E_RNA)
where:
Base-Base interactions energy: -324.677
where: short stacking energy: -144.470
Base-Backbone interact. energy: -0.597
local terms energy: -142.412960
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -438.629421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.629421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.629421 (E_RNA)
where:
Base-Base interactions energy: -301.682
where: short stacking energy: -121.949
Base-Backbone interact. energy: -0.696
local terms energy: -136.251350
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -39.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -394.123071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.123071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.123071 (E_RNA)
where:
Base-Base interactions energy: -257.704
where: short stacking energy: -124.291
Base-Backbone interact. energy: -0.026
local terms energy: -136.392845
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -38.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -372.236019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.236019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.236019 (E_RNA)
where:
Base-Base interactions energy: -229.818
where: short stacking energy: -110.258
Base-Backbone interact. energy: -0.019
local terms energy: -142.399484
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -361.844673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.844673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.844673 (E_RNA)
where:
Base-Base interactions energy: -230.260
where: short stacking energy: -106.327
Base-Backbone interact. energy: -0.161
local terms energy: -131.424445
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -29.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -323.277316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.277316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.277316 (E_RNA)
where:
Base-Base interactions energy: -190.226
where: short stacking energy: -94.445
Base-Backbone interact. energy: -1.523
local terms energy: -131.528439
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -27.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -233.509509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.509509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.509509 (E_RNA)
where:
Base-Base interactions energy: -140.624
where: short stacking energy: -62.794
Base-Backbone interact. energy: 1.739
local terms energy: -94.624891
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -151.191350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.191350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.191350 (E_RNA)
where:
Base-Base interactions energy: -49.343
where: short stacking energy: -48.259
Base-Backbone interact. energy: -0.337
local terms energy: -101.512150
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -6.091
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: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -142.250266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.250266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.250266 (E_RNA)
where:
Base-Base interactions energy: -62.040
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.721
local terms energy: -79.489433
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: 4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -475.480940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.480940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.480940 (E_RNA)
where:
Base-Base interactions energy: -325.220
where: short stacking energy: -142.728
Base-Backbone interact. energy: -1.159
local terms energy: -149.102154
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -479.647321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.647321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.647321 (E_RNA)
where:
Base-Base interactions energy: -326.451
where: short stacking energy: -142.779
Base-Backbone interact. energy: -0.145
local terms energy: -153.051633
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -42.076
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -431.873819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.873819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.873819 (E_RNA)
where:
Base-Base interactions energy: -288.701
where: short stacking energy: -129.451
Base-Backbone interact. energy: -0.019
local terms energy: -143.154399
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -40.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -392.546139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.546139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.546139 (E_RNA)
where:
Base-Base interactions energy: -237.907
where: short stacking energy: -119.314
Base-Backbone interact. energy: -0.870
local terms energy: -153.769004
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -37.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -385.399558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.399558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.399558 (E_RNA)
where:
Base-Base interactions energy: -255.728
where: short stacking energy: -122.561
Base-Backbone interact. energy: -0.113
local terms energy: -129.558310
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -9.887
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: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -374.322478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.322478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.322478 (E_RNA)
where:
Base-Base interactions energy: -249.498
where: short stacking energy: -123.344
Base-Backbone interact. energy: -1.139
local terms energy: -123.685419
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -32.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -334.591368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.591368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.591368 (E_RNA)
where:
Base-Base interactions energy: -213.530
where: short stacking energy: -107.769
Base-Backbone interact. energy: -0.963
local terms energy: -120.099052
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -28.322
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: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -225.899470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.899470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.899470 (E_RNA)
where:
Base-Base interactions energy: -132.851
where: short stacking energy: -77.471
Base-Backbone interact. energy: 0.290
local terms energy: -93.338338
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -16.658
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: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -154.566983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.566983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.566983 (E_RNA)
where:
Base-Base interactions energy: -56.057
where: short stacking energy: -42.652
Base-Backbone interact. energy: 0.417
local terms energy: -98.926887
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -143.658111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.658111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.658111 (E_RNA)
where:
Base-Base interactions energy: -60.107
where: short stacking energy: -48.883
Base-Backbone interact. energy: -1.275
local terms energy: -82.276654
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: 3.852
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: 257
Temperature: 0.900000
Total energy: -478.146025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.146025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.146025 (E_RNA)
where:
Base-Base interactions energy: -325.175
where: short stacking energy: -139.831
Base-Backbone interact. energy: -0.784
local terms energy: -152.186795
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -43.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -484.994675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.994675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.994675 (E_RNA)
where:
Base-Base interactions energy: -327.015
where: short stacking energy: -137.388
Base-Backbone interact. energy: -0.631
local terms energy: -157.347958
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -40.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -453.193139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.193139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.193139 (E_RNA)
where:
Base-Base interactions energy: -297.945
where: short stacking energy: -129.114
Base-Backbone interact. energy: -0.205
local terms energy: -155.042980
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -41.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -396.499838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.499838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.499838 (E_RNA)
where:
Base-Base interactions energy: -258.425
where: short stacking energy: -124.569
Base-Backbone interact. energy: -0.123
local terms energy: -137.951936
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: -39.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -380.507720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.507720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.507720 (E_RNA)
where:
Base-Base interactions energy: -240.407
where: short stacking energy: -109.493
Base-Backbone interact. energy: -0.405
local terms energy: -139.695540
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -28.816
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -32.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -311.807712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.807712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.807712 (E_RNA)
where:
Base-Base interactions energy: -186.280
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.846
local terms energy: -124.682043
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -24.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -366.081601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.081601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.081601 (E_RNA)
where:
Base-Base interactions energy: -241.631
where: short stacking energy: -111.979
Base-Backbone interact. energy: -0.230
local terms energy: -124.220593
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -32.549
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: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -271.226800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.226800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.226800 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -73.672
Base-Backbone interact. energy: -0.657
local terms energy: -114.700412
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -140.482371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.482371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.482371 (E_RNA)
where:
Base-Base interactions energy: -43.957
where: short stacking energy: -43.957
Base-Backbone interact. energy: -0.160
local terms energy: -96.365518
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -134.913152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.913152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.913152 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.639
local terms energy: -89.852493
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -1.937
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: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -471.539859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.539859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.539859 (E_RNA)
where:
Base-Base interactions energy: -330.950
where: short stacking energy: -147.546
Base-Backbone interact. energy: -0.121
local terms energy: -140.468455
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -40.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -464.521923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.521923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.521923 (E_RNA)
where:
Base-Base interactions energy: -319.171
where: short stacking energy: -138.541
Base-Backbone interact. energy: 0.100
local terms energy: -145.450721
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -38.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -451.770355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.770355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.770355 (E_RNA)
where:
Base-Base interactions energy: -315.180
where: short stacking energy: -138.768
Base-Backbone interact. energy: -0.347
local terms energy: -136.243257
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -393.129789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.129789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.129789 (E_RNA)
where:
Base-Base interactions energy: -253.295
where: short stacking energy: -112.731
Base-Backbone interact. energy: -0.463
local terms energy: -139.371185
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -35.354
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: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -397.498321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.498321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.498321 (E_RNA)
where:
Base-Base interactions energy: -251.124
where: short stacking energy: -133.827
Base-Backbone interact. energy: -0.114
local terms energy: -146.259762
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -23.164
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: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -295.075140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.075140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.075140 (E_RNA)
where:
Base-Base interactions energy: -182.247
where: short stacking energy: -88.353
Base-Backbone interact. energy: -0.974
local terms energy: -111.853826
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -28.377
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -356.821928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.821928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.821928 (E_RNA)
where:
Base-Base interactions energy: -231.942
where: short stacking energy: -118.611
Base-Backbone interact. energy: -0.939
local terms energy: -123.941036
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -33.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -239.694670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.694670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.694670 (E_RNA)
where:
Base-Base interactions energy: -148.326
where: short stacking energy: -64.698
Base-Backbone interact. energy: -1.516
local terms energy: -89.852527
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -4.904
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: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -150.979878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.979878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.979878 (E_RNA)
where:
Base-Base interactions energy: -51.807
where: short stacking energy: -42.553
Base-Backbone interact. energy: -0.248
local terms energy: -98.924656
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -5.850
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -137.118667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.118667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.118667 (E_RNA)
where:
Base-Base interactions energy: -57.872
where: short stacking energy: -52.991
Base-Backbone interact. energy: -0.304
local terms energy: -78.942320
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: 2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -462.639899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.639899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.639899 (E_RNA)
where:
Base-Base interactions energy: -315.138
where: short stacking energy: -134.734
Base-Backbone interact. energy: -0.997
local terms energy: -146.505033
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -36.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -470.900489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.900489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.900489 (E_RNA)
where:
Base-Base interactions energy: -322.681
where: short stacking energy: -144.733
Base-Backbone interact. energy: 0.493
local terms energy: -148.712973
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -41.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -454.645978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.645978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.645978 (E_RNA)
where:
Base-Base interactions energy: -300.303
where: short stacking energy: -137.163
Base-Backbone interact. energy: -0.642
local terms energy: -153.701507
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -46.295
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: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -422.249784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.249784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.249784 (E_RNA)
where:
Base-Base interactions energy: -273.697
where: short stacking energy: -140.540
Base-Backbone interact. energy: -0.073
local terms energy: -148.479265
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -46.421
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: 259
Temperature: 1.100000
Total energy: -395.579365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.579365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.579365 (E_RNA)
where:
Base-Base interactions energy: -262.310
where: short stacking energy: -125.532
Base-Backbone interact. energy: -0.876
local terms energy: -132.393381
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -28.413
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -12.251
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: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -368.173214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.173214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.173214 (E_RNA)
where:
Base-Base interactions energy: -234.418
where: short stacking energy: -109.428
Base-Backbone interact. energy: -0.078
local terms energy: -133.677208
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -34.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -287.273441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.273441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.273441 (E_RNA)
where:
Base-Base interactions energy: -153.684
where: short stacking energy: -82.334
Base-Backbone interact. energy: -1.020
local terms energy: -132.569151
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -24.324
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: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -280.364544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.364544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.364544 (E_RNA)
where:
Base-Base interactions energy: -163.071
where: short stacking energy: -91.406
Base-Backbone interact. energy: 0.947
local terms energy: -118.240959
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -135.845202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.845202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.845202 (E_RNA)
where:
Base-Base interactions energy: -52.791
where: short stacking energy: -51.612
Base-Backbone interact. energy: -0.696
local terms energy: -82.358701
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -127.234638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.234638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.234638 (E_RNA)
where:
Base-Base interactions energy: -43.663
where: short stacking energy: -33.368
Base-Backbone interact. energy: -0.424
local terms energy: -83.148032
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -27.483
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: 7.974
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: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -491.035729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.035729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.035729 (E_RNA)
where:
Base-Base interactions energy: -339.858
where: short stacking energy: -133.177
Base-Backbone interact. energy: 0.130
local terms energy: -151.308482
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -40.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -458.497608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.497608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.497608 (E_RNA)
where:
Base-Base interactions energy: -308.006
where: short stacking energy: -134.581
Base-Backbone interact. energy: -0.599
local terms energy: -149.892485
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -31.787
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -18.627
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: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -458.097877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.097877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.097877 (E_RNA)
where:
Base-Base interactions energy: -304.333
where: short stacking energy: -135.595
Base-Backbone interact. energy: -0.202
local terms energy: -153.563550
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -27.449
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -48.136
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: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -426.632695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.632695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.632695 (E_RNA)
where:
Base-Base interactions energy: -279.180
where: short stacking energy: -141.411
Base-Backbone interact. energy: -0.029
local terms energy: -147.424136
where:
bonds (distance) C4'-P energy: -28.642
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -388.214144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.214144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.214144 (E_RNA)
where:
Base-Base interactions energy: -253.634
where: short stacking energy: -118.317
Base-Backbone interact. energy: -0.084
local terms energy: -134.496681
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -31.992
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -34.595
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: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -377.987304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.987304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.987304 (E_RNA)
where:
Base-Base interactions energy: -239.355
where: short stacking energy: -110.595
Base-Backbone interact. energy: -0.843
local terms energy: -137.788879
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -31.911
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -291.056127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.056127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.056127 (E_RNA)
where:
Base-Base interactions energy: -177.830
where: short stacking energy: -112.051
Base-Backbone interact. energy: -0.677
local terms energy: -112.548542
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -262.251969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.251969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.251969 (E_RNA)
where:
Base-Base interactions energy: -159.786
where: short stacking energy: -81.220
Base-Backbone interact. energy: -1.549
local terms energy: -100.917609
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -143.721712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.721712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.721712 (E_RNA)
where:
Base-Base interactions energy: -51.400
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.506
local terms energy: -91.815464
where:
bonds (distance) C4'-P energy: -26.382
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -4.316
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: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -132.291263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.291263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.291263 (E_RNA)
where:
Base-Base interactions energy: -48.133
where: short stacking energy: -28.410
Base-Backbone interact. energy: 0.804
local terms energy: -84.962501
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -479.837918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.837918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.837918 (E_RNA)
where:
Base-Base interactions energy: -326.565
where: short stacking energy: -139.342
Base-Backbone interact. energy: 0.712
local terms energy: -153.985144
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -40.890
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: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -460.874154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.874154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.874154 (E_RNA)
where:
Base-Base interactions energy: -317.151
where: short stacking energy: -130.465
Base-Backbone interact. energy: -1.437
local terms energy: -142.286263
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -41.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -438.655865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.655865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.655865 (E_RNA)
where:
Base-Base interactions energy: -299.657
where: short stacking energy: -131.166
Base-Backbone interact. energy: 0.393
local terms energy: -139.392223
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -14.585
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: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -406.140189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.140189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.140189 (E_RNA)
where:
Base-Base interactions energy: -268.073
where: short stacking energy: -124.375
Base-Backbone interact. energy: -0.984
local terms energy: -137.082693
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -405.395797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.395797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.395797 (E_RNA)
where:
Base-Base interactions energy: -264.404
where: short stacking energy: -125.770
Base-Backbone interact. energy: -1.321
local terms energy: -139.671105
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -33.612
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -34.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -366.702907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.702907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.702907 (E_RNA)
where:
Base-Base interactions energy: -251.567
where: short stacking energy: -118.585
Base-Backbone interact. energy: -0.418
local terms energy: -114.717586
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -30.637
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -28.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -259.995446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.995446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.995446 (E_RNA)
where:
Base-Base interactions energy: -143.015
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.339
local terms energy: -116.641934
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -264.245176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.245176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.245176 (E_RNA)
where:
Base-Base interactions energy: -157.693
where: short stacking energy: -70.792
Base-Backbone interact. energy: 1.039
local terms energy: -107.591316
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -159.383205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.383205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.383205 (E_RNA)
where:
Base-Base interactions energy: -85.662
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.675
local terms energy: -73.045924
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -1.794
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: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -144.957515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.957515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.957515 (E_RNA)
where:
Base-Base interactions energy: -65.083
where: short stacking energy: -39.245
Base-Backbone interact. energy: -0.699
local terms energy: -79.176002
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: 3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -474.082703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.082703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.082703 (E_RNA)
where:
Base-Base interactions energy: -319.138
where: short stacking energy: -140.209
Base-Backbone interact. energy: -0.322
local terms energy: -154.623271
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -43.643
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: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -464.003514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.003514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.003514 (E_RNA)
where:
Base-Base interactions energy: -324.020
where: short stacking energy: -131.414
Base-Backbone interact. energy: 1.868
local terms energy: -141.851616
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -40.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -401.775480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.775480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.775480 (E_RNA)
where:
Base-Base interactions energy: -256.082
where: short stacking energy: -115.454
Base-Backbone interact. energy: 0.689
local terms energy: -146.382397
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -29.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -434.552543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.552543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.552543 (E_RNA)
where:
Base-Base interactions energy: -284.345
where: short stacking energy: -124.503
Base-Backbone interact. energy: -0.318
local terms energy: -149.889449
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -31.526
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -42.813
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: 262
Temperature: 1.100000
Total energy: -386.237257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.237257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.237257 (E_RNA)
where:
Base-Base interactions energy: -243.308
where: short stacking energy: -116.909
Base-Backbone interact. energy: -0.312
local terms energy: -142.617063
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -30.470
flat angles C4'-P-C4' energy: -27.942
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -40.220
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: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -366.148687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.148687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.148687 (E_RNA)
where:
Base-Base interactions energy: -241.792
where: short stacking energy: -116.984
Base-Backbone interact. energy: -0.099
local terms energy: -124.257389
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -32.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -265.716977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.716977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.716977 (E_RNA)
where:
Base-Base interactions energy: -157.181
where: short stacking energy: -92.958
Base-Backbone interact. energy: 1.191
local terms energy: -109.726655
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -234.155662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.155662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.155662 (E_RNA)
where:
Base-Base interactions energy: -132.420
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.337
local terms energy: -101.398467
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -15.800
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: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -150.504475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.504475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.504475 (E_RNA)
where:
Base-Base interactions energy: -58.173
where: short stacking energy: -32.159
Base-Backbone interact. energy: -0.724
local terms energy: -91.607442
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -133.580690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.580690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.580690 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -40.358
Base-Backbone interact. energy: -0.252
local terms energy: -92.497378
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -472.053883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.053883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.053883 (E_RNA)
where:
Base-Base interactions energy: -326.826
where: short stacking energy: -140.716
Base-Backbone interact. energy: -0.658
local terms energy: -144.569267
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -40.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -480.196128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.196128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.196128 (E_RNA)
where:
Base-Base interactions energy: -333.736
where: short stacking energy: -129.078
Base-Backbone interact. energy: 2.403
local terms energy: -148.863134
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -36.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -423.196650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.196650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.196650 (E_RNA)
where:
Base-Base interactions energy: -292.072
where: short stacking energy: -120.814
Base-Backbone interact. energy: 0.400
local terms energy: -131.524834
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -35.170
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: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -437.692962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.692962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.692962 (E_RNA)
where:
Base-Base interactions energy: -285.381
where: short stacking energy: -134.844
Base-Backbone interact. energy: -0.007
local terms energy: -152.304756
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -42.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -404.282949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.282949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.282949 (E_RNA)
where:
Base-Base interactions energy: -252.294
where: short stacking energy: -129.406
Base-Backbone interact. energy: -0.715
local terms energy: -151.273985
where:
bonds (distance) C4'-P energy: -27.992
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -22.158
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: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -377.605851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.605851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.605851 (E_RNA)
where:
Base-Base interactions energy: -231.432
where: short stacking energy: -107.302
Base-Backbone interact. energy: -0.425
local terms energy: -145.748855
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -32.633
flat angles P-C4'-P energy: -22.088
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: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -259.969459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.969459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.969459 (E_RNA)
where:
Base-Base interactions energy: -159.292
where: short stacking energy: -91.633
Base-Backbone interact. energy: -0.278
local terms energy: -100.399279
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -205.647568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.647568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.647568 (E_RNA)
where:
Base-Base interactions energy: -107.482
where: short stacking energy: -49.235
Base-Backbone interact. energy: 1.744
local terms energy: -99.909309
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -133.045472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.045472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.045472 (E_RNA)
where:
Base-Base interactions energy: -50.289
where: short stacking energy: -40.775
Base-Backbone interact. energy: -0.314
local terms energy: -82.441986
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: 2.875
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: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -150.873721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.873721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.873721 (E_RNA)
where:
Base-Base interactions energy: -70.424
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.393
local terms energy: -80.056545
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -3.989
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: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -488.551478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.551478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.551478 (E_RNA)
where:
Base-Base interactions energy: -349.005
where: short stacking energy: -142.592
Base-Backbone interact. energy: -1.455
local terms energy: -138.091716
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -19.316
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: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -476.857017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.857017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.857017 (E_RNA)
where:
Base-Base interactions energy: -318.456
where: short stacking energy: -139.768
Base-Backbone interact. energy: -1.087
local terms energy: -157.314456
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -41.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -454.642053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.642053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.642053 (E_RNA)
where:
Base-Base interactions energy: -296.432
where: short stacking energy: -130.086
Base-Backbone interact. energy: -0.640
local terms energy: -157.570624
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -42.840
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: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -427.365685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.365685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.365685 (E_RNA)
where:
Base-Base interactions energy: -292.091
where: short stacking energy: -127.485
Base-Backbone interact. energy: -0.052
local terms energy: -135.222129
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -29.446
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -16.038
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: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -389.413737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.413737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.413737 (E_RNA)
where:
Base-Base interactions energy: -253.075
where: short stacking energy: -120.936
Base-Backbone interact. energy: -0.557
local terms energy: -135.781476
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -34.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -362.572255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.572255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.572255 (E_RNA)
where:
Base-Base interactions energy: -232.516
where: short stacking energy: -108.762
Base-Backbone interact. energy: 1.109
local terms energy: -131.165578
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -292.823371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.823371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.823371 (E_RNA)
where:
Base-Base interactions energy: -173.544
where: short stacking energy: -86.802
Base-Backbone interact. energy: -0.085
local terms energy: -119.194498
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -234.154267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.154267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.154267 (E_RNA)
where:
Base-Base interactions energy: -135.218
where: short stacking energy: -68.869
Base-Backbone interact. energy: -1.064
local terms energy: -97.871831
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -145.658859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.658859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.658859 (E_RNA)
where:
Base-Base interactions energy: -54.927
where: short stacking energy: -46.958
Base-Backbone interact. energy: 1.707
local terms energy: -92.438193
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -133.480909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.480909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.480909 (E_RNA)
where:
Base-Base interactions energy: -47.437
where: short stacking energy: -42.539
Base-Backbone interact. energy: -0.766
local terms energy: -85.278368
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -3.807
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: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -476.905416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.905416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.905416 (E_RNA)
where:
Base-Base interactions energy: -326.025
where: short stacking energy: -127.121
Base-Backbone interact. energy: -0.366
local terms energy: -150.513825
where:
bonds (distance) C4'-P energy: -31.649
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -35.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -468.758771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.758771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.758771 (E_RNA)
where:
Base-Base interactions energy: -319.126
where: short stacking energy: -148.875
Base-Backbone interact. energy: -0.303
local terms energy: -149.330216
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -41.506
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: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -442.635097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.635097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.635097 (E_RNA)
where:
Base-Base interactions energy: -305.295
where: short stacking energy: -129.000
Base-Backbone interact. energy: -0.334
local terms energy: -137.005420
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -19.892
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: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -407.648397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.648397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.648397 (E_RNA)
where:
Base-Base interactions energy: -267.033
where: short stacking energy: -108.319
Base-Backbone interact. energy: -1.430
local terms energy: -139.185882
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -36.148
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -376.533762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.533762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.533762 (E_RNA)
where:
Base-Base interactions energy: -251.428
where: short stacking energy: -127.107
Base-Backbone interact. energy: 1.263
local terms energy: -126.369070
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -32.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -359.733070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.733070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.733070 (E_RNA)
where:
Base-Base interactions energy: -227.644
where: short stacking energy: -113.554
Base-Backbone interact. energy: -0.015
local terms energy: -132.073854
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -24.037
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -31.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -280.285403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.285403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.285403 (E_RNA)
where:
Base-Base interactions energy: -171.942
where: short stacking energy: -81.778
Base-Backbone interact. energy: 1.925
local terms energy: -110.268081
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -252.432423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.432423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.432423 (E_RNA)
where:
Base-Base interactions energy: -159.943
where: short stacking energy: -61.536
Base-Backbone interact. energy: -1.156
local terms energy: -91.332640
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -11.634
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -145.854312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.854312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.854312 (E_RNA)
where:
Base-Base interactions energy: -57.443
where: short stacking energy: -42.437
Base-Backbone interact. energy: 2.060
local terms energy: -90.470941
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -139.028897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.028897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.028897 (E_RNA)
where:
Base-Base interactions energy: -59.146
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.559
local terms energy: -79.324413
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -484.001305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.001305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.001305 (E_RNA)
where:
Base-Base interactions energy: -338.418
where: short stacking energy: -146.490
Base-Backbone interact. energy: -0.269
local terms energy: -145.313725
where:
bonds (distance) C4'-P energy: -30.245
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -24.651
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: 266
Temperature: 0.950000
Total energy: -477.317044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.317044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.317044 (E_RNA)
where:
Base-Base interactions energy: -324.117
where: short stacking energy: -142.816
Base-Backbone interact. energy: -0.125
local terms energy: -153.075013
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -32.717
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -43.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -447.426320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.426320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.426320 (E_RNA)
where:
Base-Base interactions energy: -294.298
where: short stacking energy: -127.012
Base-Backbone interact. energy: -0.603
local terms energy: -152.524626
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -30.286
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -43.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -385.179480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.179480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.179480 (E_RNA)
where:
Base-Base interactions energy: -245.885
where: short stacking energy: -117.692
Base-Backbone interact. energy: -0.464
local terms energy: -138.830206
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -23.833
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: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -389.557805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.557805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.557805 (E_RNA)
where:
Base-Base interactions energy: -259.666
where: short stacking energy: -136.324
Base-Backbone interact. energy: -0.036
local terms energy: -129.855843
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -14.831
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: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -372.014289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.014289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.014289 (E_RNA)
where:
Base-Base interactions energy: -239.908
where: short stacking energy: -115.811
Base-Backbone interact. energy: 0.466
local terms energy: -132.572052
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -29.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -280.615830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.615830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.615830 (E_RNA)
where:
Base-Base interactions energy: -163.569
where: short stacking energy: -78.735
Base-Backbone interact. energy: -0.410
local terms energy: -116.636793
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -247.542978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.542978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.542978 (E_RNA)
where:
Base-Base interactions energy: -135.900
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.752
local terms energy: -110.890907
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -9.765
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: 266
Temperature: 1.300000
Total energy: -150.922244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.922244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.922244 (E_RNA)
where:
Base-Base interactions energy: -62.826
where: short stacking energy: -49.970
Base-Backbone interact. energy: -1.769
local terms energy: -86.327017
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -135.500691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.500691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.500691 (E_RNA)
where:
Base-Base interactions energy: -53.042
where: short stacking energy: -52.536
Base-Backbone interact. energy: 2.241
local terms energy: -84.700002
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -484.828561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.828561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.828561 (E_RNA)
where:
Base-Base interactions energy: -332.921
where: short stacking energy: -142.170
Base-Backbone interact. energy: -0.778
local terms energy: -151.129794
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -41.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -465.251683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.251683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.251683 (E_RNA)
where:
Base-Base interactions energy: -319.728
where: short stacking energy: -141.813
Base-Backbone interact. energy: 0.015
local terms energy: -145.538436
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -454.917506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.917506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.917506 (E_RNA)
where:
Base-Base interactions energy: -292.869
where: short stacking energy: -132.697
Base-Backbone interact. energy: -0.190
local terms energy: -161.858874
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -46.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -391.350900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.350900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.350900 (E_RNA)
where:
Base-Base interactions energy: -256.049
where: short stacking energy: -132.351
Base-Backbone interact. energy: -0.232
local terms energy: -135.069452
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -38.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -354.786077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.786077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.786077 (E_RNA)
where:
Base-Base interactions energy: -212.586
where: short stacking energy: -107.535
Base-Backbone interact. energy: -0.601
local terms energy: -141.599347
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -31.825
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: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -378.322442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.322442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.322442 (E_RNA)
where:
Base-Base interactions energy: -234.412
where: short stacking energy: -115.662
Base-Backbone interact. energy: -0.486
local terms energy: -143.424665
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -271.346888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.346888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.346888 (E_RNA)
where:
Base-Base interactions energy: -158.159
where: short stacking energy: -84.736
Base-Backbone interact. energy: -0.298
local terms energy: -112.889973
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -24.186
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: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -263.138026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.138026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.138026 (E_RNA)
where:
Base-Base interactions energy: -155.765
where: short stacking energy: -69.746
Base-Backbone interact. energy: -0.391
local terms energy: -106.982325
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -147.117930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.117930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.117930 (E_RNA)
where:
Base-Base interactions energy: -64.058
where: short stacking energy: -42.075
Base-Backbone interact. energy: -1.393
local terms energy: -81.667115
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -158.070087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.070087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.070087 (E_RNA)
where:
Base-Base interactions energy: -80.978
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.250
local terms energy: -76.842423
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -477.252365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.252365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.252365 (E_RNA)
where:
Base-Base interactions energy: -330.521
where: short stacking energy: -133.918
Base-Backbone interact. energy: -0.640
local terms energy: -146.090570
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -21.685
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: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -467.901125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.901125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.901125 (E_RNA)
where:
Base-Base interactions energy: -317.734
where: short stacking energy: -137.710
Base-Backbone interact. energy: -0.473
local terms energy: -149.693786
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -44.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -434.822928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.822928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.822928 (E_RNA)
where:
Base-Base interactions energy: -284.585
where: short stacking energy: -128.487
Base-Backbone interact. energy: -0.266
local terms energy: -149.971652
where:
bonds (distance) C4'-P energy: -24.527
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -377.876800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.876800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.876800 (E_RNA)
where:
Base-Base interactions energy: -235.183
where: short stacking energy: -126.885
Base-Backbone interact. energy: -0.921
local terms energy: -141.772839
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -30.960
flat angles P-C4'-P energy: -20.391
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -397.107935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.107935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.107935 (E_RNA)
where:
Base-Base interactions energy: -258.476
where: short stacking energy: -127.052
Base-Backbone interact. energy: -0.407
local terms energy: -138.225422
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -18.375
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: 268
Temperature: 1.150000
Total energy: -335.021736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.021736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.021736 (E_RNA)
where:
Base-Base interactions energy: -205.274
where: short stacking energy: -102.627
Base-Backbone interact. energy: -0.650
local terms energy: -129.098172
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -22.618
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: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -277.358131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.358131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.358131 (E_RNA)
where:
Base-Base interactions energy: -169.488
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.748
local terms energy: -107.122122
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -28.447
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -13.912
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -258.203653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.203653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.203653 (E_RNA)
where:
Base-Base interactions energy: -156.797
where: short stacking energy: -79.351
Base-Backbone interact. energy: 0.700
local terms energy: -102.106159
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -14.047
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: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -144.475584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.475584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.475584 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -44.983
Base-Backbone interact. energy: 0.484
local terms energy: -91.690141
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -127.933326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.933326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.933326 (E_RNA)
where:
Base-Base interactions energy: -55.331
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.354
local terms energy: -72.247883
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: 2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -477.570609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.570609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.570609 (E_RNA)
where:
Base-Base interactions energy: -331.051
where: short stacking energy: -142.769
Base-Backbone interact. energy: -0.827
local terms energy: -145.692704
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -31.887
flat angles P-C4'-P energy: -21.096
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: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -463.193589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.193589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.193589 (E_RNA)
where:
Base-Base interactions energy: -304.966
where: short stacking energy: -130.334
Base-Backbone interact. energy: -0.233
local terms energy: -157.994089
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -441.786897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.786897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.786897 (E_RNA)
where:
Base-Base interactions energy: -296.150
where: short stacking energy: -125.387
Base-Backbone interact. energy: -0.790
local terms energy: -144.846322
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -41.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -383.274588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.274588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.274588 (E_RNA)
where:
Base-Base interactions energy: -254.016
where: short stacking energy: -123.575
Base-Backbone interact. energy: 0.339
local terms energy: -129.597554
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -15.260
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: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -378.039826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.039826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.039826 (E_RNA)
where:
Base-Base interactions energy: -239.993
where: short stacking energy: -117.615
Base-Backbone interact. energy: 0.009
local terms energy: -138.056667
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -360.050943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.050943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.050943 (E_RNA)
where:
Base-Base interactions energy: -228.958
where: short stacking energy: -96.323
Base-Backbone interact. energy: -0.481
local terms energy: -130.612250
where:
bonds (distance) C4'-P energy: -27.741
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -32.718
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: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -269.749927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.749927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.749927 (E_RNA)
where:
Base-Base interactions energy: -164.161
where: short stacking energy: -82.797
Base-Backbone interact. energy: 1.496
local terms energy: -107.085013
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -213.851926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.851926 (E_RNA)
where:
Base-Base interactions energy: -118.133
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.002
local terms energy: -95.717640
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -149.690954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.690954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.690954 (E_RNA)
where:
Base-Base interactions energy: -65.155
where: short stacking energy: -47.207
Base-Backbone interact. energy: -0.293
local terms energy: -84.242382
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -127.878301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.878301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.878301 (E_RNA)
where:
Base-Base interactions energy: -41.961
where: short stacking energy: -41.921
Base-Backbone interact. energy: -0.131
local terms energy: -85.786367
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -3.853
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: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -482.488906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.488906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.488906 (E_RNA)
where:
Base-Base interactions energy: -324.660
where: short stacking energy: -146.134
Base-Backbone interact. energy: -0.402
local terms energy: -157.426092
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -43.022
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: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -478.271499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.271499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.271499 (E_RNA)
where:
Base-Base interactions energy: -327.243
where: short stacking energy: -144.712
Base-Backbone interact. energy: 0.071
local terms energy: -151.098861
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -40.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -386.448548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.448548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.448548 (E_RNA)
where:
Base-Base interactions energy: -247.380
where: short stacking energy: -123.353
Base-Backbone interact. energy: -0.803
local terms energy: -138.264735
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -33.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -428.508873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.508873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.508873 (E_RNA)
where:
Base-Base interactions energy: -286.293
where: short stacking energy: -127.471
Base-Backbone interact. energy: -0.896
local terms energy: -141.319905
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -39.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -398.053334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.053334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.053334 (E_RNA)
where:
Base-Base interactions energy: -263.111
where: short stacking energy: -126.359
Base-Backbone interact. energy: -0.355
local terms energy: -134.586735
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -33.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -370.477391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.477391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.477391 (E_RNA)
where:
Base-Base interactions energy: -239.896
where: short stacking energy: -107.156
Base-Backbone interact. energy: -1.211
local terms energy: -129.370523
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -27.787
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -269.088997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.088997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.088997 (E_RNA)
where:
Base-Base interactions energy: -167.879
where: short stacking energy: -93.752
Base-Backbone interact. energy: -0.215
local terms energy: -100.994941
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -246.862053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.862053 (E_RNA)
where:
Base-Base interactions energy: -134.736
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.157
local terms energy: -111.968686
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -136.217868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.217868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.217868 (E_RNA)
where:
Base-Base interactions energy: -65.513
where: short stacking energy: -47.211
Base-Backbone interact. energy: 2.292
local terms energy: -72.996368
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: 2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -144.032398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.032398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.032398 (E_RNA)
where:
Base-Base interactions energy: -56.218
where: short stacking energy: -46.233
Base-Backbone interact. energy: -1.336
local terms energy: -86.479087
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: 0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -481.187534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.187534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.187534 (E_RNA)
where:
Base-Base interactions energy: -335.454
where: short stacking energy: -143.553
Base-Backbone interact. energy: -1.014
local terms energy: -144.718869
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -45.271
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: 271
Temperature: 0.950000
Total energy: -472.695972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.695972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.695972 (E_RNA)
where:
Base-Base interactions energy: -331.278
where: short stacking energy: -140.895
Base-Backbone interact. energy: 1.111
local terms energy: -142.528119
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -37.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -396.770948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.770948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.770948 (E_RNA)
where:
Base-Base interactions energy: -259.464
where: short stacking energy: -117.353
Base-Backbone interact. energy: -0.279
local terms energy: -137.027705
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -31.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -436.384717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.384717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.384717 (E_RNA)
where:
Base-Base interactions energy: -288.573
where: short stacking energy: -131.425
Base-Backbone interact. energy: -0.540
local terms energy: -147.272312
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -38.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -388.191056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.191056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.191056 (E_RNA)
where:
Base-Base interactions energy: -253.363
where: short stacking energy: -102.402
Base-Backbone interact. energy: -0.299
local terms energy: -134.528442
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -30.260
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -20.968
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: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -352.060750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.060750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.060750 (E_RNA)
where:
Base-Base interactions energy: -234.982
where: short stacking energy: -111.948
Base-Backbone interact. energy: -0.125
local terms energy: -116.953804
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -30.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -274.638234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.638234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.638234 (E_RNA)
where:
Base-Base interactions energy: -157.076
where: short stacking energy: -74.041
Base-Backbone interact. energy: 0.513
local terms energy: -118.074427
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -219.598620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.598620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.598620 (E_RNA)
where:
Base-Base interactions energy: -123.891
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.833
local terms energy: -94.874800
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -157.991868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.991868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.991868 (E_RNA)
where:
Base-Base interactions energy: -70.236
where: short stacking energy: -49.893
Base-Backbone interact. energy: -1.209
local terms energy: -86.547070
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -131.551815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.551815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.551815 (E_RNA)
where:
Base-Base interactions energy: -51.827
where: short stacking energy: -33.197
Base-Backbone interact. energy: 0.338
local terms energy: -80.062260
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: 4.037
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: 272
Temperature: 0.900000
Total energy: -480.299895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.299895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.299895 (E_RNA)
where:
Base-Base interactions energy: -325.897
where: short stacking energy: -142.587
Base-Backbone interact. energy: -0.321
local terms energy: -154.082038
where:
bonds (distance) C4'-P energy: -29.039
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -42.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -462.728204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.728204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.728204 (E_RNA)
where:
Base-Base interactions energy: -322.714
where: short stacking energy: -132.380
Base-Backbone interact. energy: -0.525
local terms energy: -139.489935
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -444.339154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.339154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.339154 (E_RNA)
where:
Base-Base interactions energy: -304.196
where: short stacking energy: -138.233
Base-Backbone interact. energy: -0.225
local terms energy: -139.917619
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -32.151
flat angles P-C4'-P energy: -14.938
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: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -384.498618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.498618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.498618 (E_RNA)
where:
Base-Base interactions energy: -244.185
where: short stacking energy: -115.566
Base-Backbone interact. energy: 0.364
local terms energy: -140.677931
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -31.925
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -366.863081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.863081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.863081 (E_RNA)
where:
Base-Base interactions energy: -230.809
where: short stacking energy: -106.677
Base-Backbone interact. energy: -0.496
local terms energy: -135.557762
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -29.292
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: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -374.329717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.329717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.329717 (E_RNA)
where:
Base-Base interactions energy: -243.046
where: short stacking energy: -116.826
Base-Backbone interact. energy: -0.258
local terms energy: -131.025993
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -33.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -254.190293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.190293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.190293 (E_RNA)
where:
Base-Base interactions energy: -151.514
where: short stacking energy: -73.886
Base-Backbone interact. energy: -0.610
local terms energy: -102.066089
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -12.538
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: 272
Temperature: 1.250000
Total energy: -257.972926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.972926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.972926 (E_RNA)
where:
Base-Base interactions energy: -143.408
where: short stacking energy: -71.635
Base-Backbone interact. energy: 1.429
local terms energy: -115.994182
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -31.709
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -136.528581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.528581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.528581 (E_RNA)
where:
Base-Base interactions energy: -50.875
where: short stacking energy: -34.333
Base-Backbone interact. energy: -0.154
local terms energy: -85.499873
where:
bonds (distance) C4'-P energy: -26.798
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: 2.188
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: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -149.773795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.773795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.773795 (E_RNA)
where:
Base-Base interactions energy: -58.064
where: short stacking energy: -36.410
Base-Backbone interact. energy: -1.285
local terms energy: -90.424580
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -3.858
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: 273
Temperature: 0.900000
Total energy: -471.860232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.860232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.860232 (E_RNA)
where:
Base-Base interactions energy: -325.044
where: short stacking energy: -143.737
Base-Backbone interact. energy: -0.681
local terms energy: -146.135986
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -26.842
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -38.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -461.971394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.971394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.971394 (E_RNA)
where:
Base-Base interactions energy: -312.279
where: short stacking energy: -127.784
Base-Backbone interact. energy: -0.553
local terms energy: -149.140009
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -23.182
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: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -461.026622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.026622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.026622 (E_RNA)
where:
Base-Base interactions energy: -311.821
where: short stacking energy: -134.398
Base-Backbone interact. energy: 0.135
local terms energy: -149.340002
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -32.899
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: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -402.365628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.365628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.365628 (E_RNA)
where:
Base-Base interactions energy: -254.348
where: short stacking energy: -134.664
Base-Backbone interact. energy: -0.034
local terms energy: -147.983789
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -40.423
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -384.199387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.199387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.199387 (E_RNA)
where:
Base-Base interactions energy: -257.960
where: short stacking energy: -128.482
Base-Backbone interact. energy: 0.260
local terms energy: -126.499312
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -28.273
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -33.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -355.465433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.465433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.465433 (E_RNA)
where:
Base-Base interactions energy: -211.340
where: short stacking energy: -91.749
Base-Backbone interact. energy: -0.132
local terms energy: -143.993692
where:
bonds (distance) C4'-P energy: -23.987
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -20.975
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: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -240.366324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.366324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.366324 (E_RNA)
where:
Base-Base interactions energy: -141.279
where: short stacking energy: -57.155
Base-Backbone interact. energy: 1.276
local terms energy: -100.363081
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -263.077918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.077918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.077918 (E_RNA)
where:
Base-Base interactions energy: -150.340
where: short stacking energy: -82.945
Base-Backbone interact. energy: 0.842
local terms energy: -113.580238
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -17.463
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -144.036396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.036396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.036396 (E_RNA)
where:
Base-Base interactions energy: -57.068
where: short stacking energy: -41.431
Base-Backbone interact. energy: -0.500
local terms energy: -86.468540
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -138.403049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.403049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.403049 (E_RNA)
where:
Base-Base interactions energy: -48.208
where: short stacking energy: -48.025
Base-Backbone interact. energy: 0.156
local terms energy: -90.351165
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -2.578
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -470.390428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.390428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.390428 (E_RNA)
where:
Base-Base interactions energy: -313.660
where: short stacking energy: -139.248
Base-Backbone interact. energy: 2.278
local terms energy: -159.008017
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -44.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -471.630322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.630322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.630322 (E_RNA)
where:
Base-Base interactions energy: -312.145
where: short stacking energy: -135.527
Base-Backbone interact. energy: -1.220
local terms energy: -158.265749
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -42.577
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: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -455.600772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.600772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.600772 (E_RNA)
where:
Base-Base interactions energy: -319.975
where: short stacking energy: -132.406
Base-Backbone interact. energy: -2.833
local terms energy: -132.792603
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -408.662789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.662789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.662789 (E_RNA)
where:
Base-Base interactions energy: -259.769
where: short stacking energy: -127.340
Base-Backbone interact. energy: -0.116
local terms energy: -148.778153
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -43.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -390.593759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.593759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.593759 (E_RNA)
where:
Base-Base interactions energy: -250.594
where: short stacking energy: -107.349
Base-Backbone interact. energy: -0.383
local terms energy: -139.616495
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -34.438
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: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -380.572970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.572970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.572970 (E_RNA)
where:
Base-Base interactions energy: -257.176
where: short stacking energy: -113.613
Base-Backbone interact. energy: -0.822
local terms energy: -122.574125
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -19.275
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: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -288.903618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.903618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.903618 (E_RNA)
where:
Base-Base interactions energy: -167.985
where: short stacking energy: -86.983
Base-Backbone interact. energy: -0.498
local terms energy: -120.420756
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -268.438053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.438053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.438053 (E_RNA)
where:
Base-Base interactions energy: -162.069
where: short stacking energy: -83.969
Base-Backbone interact. energy: -0.569
local terms energy: -105.799893
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -183.983500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.983500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.983500 (E_RNA)
where:
Base-Base interactions energy: -105.131
where: short stacking energy: -62.051
Base-Backbone interact. energy: 3.281
local terms energy: -82.133187
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -2.568
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: 274
Temperature: 1.350000
Total energy: -138.886417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.886417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.886417 (E_RNA)
where:
Base-Base interactions energy: -61.160
where: short stacking energy: -41.035
Base-Backbone interact. energy: 3.280
local terms energy: -81.006610
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: 2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -470.352797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.352797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.352797 (E_RNA)
where:
Base-Base interactions energy: -322.182
where: short stacking energy: -134.861
Base-Backbone interact. energy: 0.342
local terms energy: -148.512730
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -43.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -448.467703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.467703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.467703 (E_RNA)
where:
Base-Base interactions energy: -309.812
where: short stacking energy: -129.683
Base-Backbone interact. energy: 0.604
local terms energy: -139.259193
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -35.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -455.137904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.137904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.137904 (E_RNA)
where:
Base-Base interactions energy: -310.232
where: short stacking energy: -138.040
Base-Backbone interact. energy: -0.739
local terms energy: -144.167391
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -38.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -411.936599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.936599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.936599 (E_RNA)
where:
Base-Base interactions energy: -260.058
where: short stacking energy: -120.358
Base-Backbone interact. energy: -0.302
local terms energy: -151.577102
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -24.176
tors. eta vs tors. theta energy: -31.703
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: 275
Temperature: 1.100000
Total energy: -375.163590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.163590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.163590 (E_RNA)
where:
Base-Base interactions energy: -241.956
where: short stacking energy: -124.940
Base-Backbone interact. energy: -1.266
local terms energy: -131.941952
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -368.767612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.767612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.767612 (E_RNA)
where:
Base-Base interactions energy: -235.695
where: short stacking energy: -125.013
Base-Backbone interact. energy: -0.264
local terms energy: -132.808217
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -29.705
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -32.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -278.586898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.586898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.586898 (E_RNA)
where:
Base-Base interactions energy: -160.288
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.523
local terms energy: -117.776478
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -16.527
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: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -232.576331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.576331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576331 (E_RNA)
where:
Base-Base interactions energy: -135.248
where: short stacking energy: -74.928
Base-Backbone interact. energy: 0.049
local terms energy: -97.376898
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -14.366
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: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -139.918957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.918957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.918957 (E_RNA)
where:
Base-Base interactions energy: -47.587
where: short stacking energy: -39.888
Base-Backbone interact. energy: -1.053
local terms energy: -91.279167
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -153.196666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.196666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.196666 (E_RNA)
where:
Base-Base interactions energy: -62.783
where: short stacking energy: -54.941
Base-Backbone interact. energy: 0.487
local terms energy: -90.900393
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -477.110834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.110834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.110834 (E_RNA)
where:
Base-Base interactions energy: -321.540
where: short stacking energy: -143.568
Base-Backbone interact. energy: -0.767
local terms energy: -154.804178
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -32.358
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -20.333
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: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -456.314073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.314073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.314073 (E_RNA)
where:
Base-Base interactions energy: -298.438
where: short stacking energy: -121.279
Base-Backbone interact. energy: -0.697
local terms energy: -157.178334
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -33.844
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -36.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -462.643651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.643651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.643651 (E_RNA)
where:
Base-Base interactions energy: -322.514
where: short stacking energy: -139.493
Base-Backbone interact. energy: 1.550
local terms energy: -141.680076
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -13.879
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: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -383.255827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.255827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.255827 (E_RNA)
where:
Base-Base interactions energy: -252.426
where: short stacking energy: -107.336
Base-Backbone interact. energy: -0.141
local terms energy: -130.688427
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -372.645037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.645037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.645037 (E_RNA)
where:
Base-Base interactions energy: -238.292
where: short stacking energy: -117.512
Base-Backbone interact. energy: 0.917
local terms energy: -135.270303
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -26.182
tors. eta vs tors. theta energy: -37.026
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: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -382.731290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.731290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.731290 (E_RNA)
where:
Base-Base interactions energy: -260.358
where: short stacking energy: -132.608
Base-Backbone interact. energy: -0.260
local terms energy: -122.112849
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -39.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -268.481465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.481465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.481465 (E_RNA)
where:
Base-Base interactions energy: -164.424
where: short stacking energy: -90.556
Base-Backbone interact. energy: -0.615
local terms energy: -103.443065
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -231.622563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.622563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.622563 (E_RNA)
where:
Base-Base interactions energy: -117.153
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.274
local terms energy: -114.195592
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -27.409
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -12.948
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: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -152.004078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.004078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.004078 (E_RNA)
where:
Base-Base interactions energy: -59.009
where: short stacking energy: -38.521
Base-Backbone interact. energy: -1.260
local terms energy: -91.735070
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -2.517
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: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -128.957553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.957553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.957553 (E_RNA)
where:
Base-Base interactions energy: -33.208
where: short stacking energy: -34.950
Base-Backbone interact. energy: -0.639
local terms energy: -95.110694
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -475.938668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.938668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.938668 (E_RNA)
where:
Base-Base interactions energy: -320.614
where: short stacking energy: -139.016
Base-Backbone interact. energy: -0.013
local terms energy: -155.311153
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -42.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -464.514483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.514483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.514483 (E_RNA)
where:
Base-Base interactions energy: -305.132
where: short stacking energy: -131.934
Base-Backbone interact. energy: -0.211
local terms energy: -159.171692
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -41.520
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -457.686847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.686847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.686847 (E_RNA)
where:
Base-Base interactions energy: -320.541
where: short stacking energy: -122.552
Base-Backbone interact. energy: 3.912
local terms energy: -141.057326
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -37.743
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -412.428618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.428618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.428618 (E_RNA)
where:
Base-Base interactions energy: -276.696
where: short stacking energy: -125.430
Base-Backbone interact. energy: -0.300
local terms energy: -135.432146
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -38.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -386.320704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.320704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.320704 (E_RNA)
where:
Base-Base interactions energy: -244.815
where: short stacking energy: -118.313
Base-Backbone interact. energy: -0.593
local terms energy: -140.912451
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -33.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -403.184321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.184321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.184321 (E_RNA)
where:
Base-Base interactions energy: -265.935
where: short stacking energy: -119.787
Base-Backbone interact. energy: -1.377
local terms energy: -135.872206
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -34.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -273.905189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.905189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.905189 (E_RNA)
where:
Base-Base interactions energy: -156.943
where: short stacking energy: -90.461
Base-Backbone interact. energy: -0.203
local terms energy: -116.759029
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -248.765797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.765797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.765797 (E_RNA)
where:
Base-Base interactions energy: -131.551
where: short stacking energy: -65.943
Base-Backbone interact. energy: -0.178
local terms energy: -117.036207
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -28.677
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -14.420
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: 277
Temperature: 1.300000
Total energy: -138.586324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.586324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.586324 (E_RNA)
where:
Base-Base interactions energy: -41.199
where: short stacking energy: -40.395
Base-Backbone interact. energy: 0.655
local terms energy: -98.042470
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -33.147
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -126.272088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.272088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.272088 (E_RNA)
where:
Base-Base interactions energy: -50.739
where: short stacking energy: -38.889
Base-Backbone interact. energy: 2.404
local terms energy: -77.936807
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -477.055645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.055645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.055645 (E_RNA)
where:
Base-Base interactions energy: -330.422
where: short stacking energy: -138.246
Base-Backbone interact. energy: -1.003
local terms energy: -145.630793
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -44.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -442.184995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.184995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.184995 (E_RNA)
where:
Base-Base interactions energy: -300.443
where: short stacking energy: -122.647
Base-Backbone interact. energy: -0.194
local terms energy: -141.548297
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -41.676
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: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -474.740901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.740901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.740901 (E_RNA)
where:
Base-Base interactions energy: -329.921
where: short stacking energy: -127.735
Base-Backbone interact. energy: -0.598
local terms energy: -144.221299
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -40.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -400.413238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.413238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.413238 (E_RNA)
where:
Base-Base interactions energy: -264.298
where: short stacking energy: -124.627
Base-Backbone interact. energy: -0.096
local terms energy: -136.018746
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -17.819
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: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -393.930907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.930907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.930907 (E_RNA)
where:
Base-Base interactions energy: -266.047
where: short stacking energy: -117.281
Base-Backbone interact. energy: -1.136
local terms energy: -126.747883
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -32.736
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: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -367.536934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.536934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.536934 (E_RNA)
where:
Base-Base interactions energy: -247.583
where: short stacking energy: -122.372
Base-Backbone interact. energy: -0.581
local terms energy: -119.373172
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -282.177351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.177351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.177351 (E_RNA)
where:
Base-Base interactions energy: -176.982
where: short stacking energy: -84.971
Base-Backbone interact. energy: -0.002
local terms energy: -105.193291
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -281.387600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.387600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.387600 (E_RNA)
where:
Base-Base interactions energy: -182.280
where: short stacking energy: -77.497
Base-Backbone interact. energy: -0.086
local terms energy: -99.022159
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -160.565616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.565616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.565616 (E_RNA)
where:
Base-Base interactions energy: -77.930
where: short stacking energy: -39.257
Base-Backbone interact. energy: -0.665
local terms energy: -81.971473
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -30.480
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: 3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -139.348531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.348531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.348531 (E_RNA)
where:
Base-Base interactions energy: -52.434
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.567
local terms energy: -86.348093
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -476.345781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.345781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.345781 (E_RNA)
where:
Base-Base interactions energy: -327.834
where: short stacking energy: -138.646
Base-Backbone interact. energy: -0.076
local terms energy: -148.435569
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -42.325
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: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -461.058858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.058858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.058858 (E_RNA)
where:
Base-Base interactions energy: -309.835
where: short stacking energy: -122.900
Base-Backbone interact. energy: -0.207
local terms energy: -151.017611
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -33.096
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -427.316212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.316212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.316212 (E_RNA)
where:
Base-Base interactions energy: -275.804
where: short stacking energy: -121.851
Base-Backbone interact. energy: 0.332
local terms energy: -151.843684
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -17.538
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: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -393.663670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.663670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.663670 (E_RNA)
where:
Base-Base interactions energy: -239.109
where: short stacking energy: -114.537
Base-Backbone interact. energy: -0.443
local terms energy: -154.112102
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -39.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -396.678344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.678344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.678344 (E_RNA)
where:
Base-Base interactions energy: -268.039
where: short stacking energy: -112.514
Base-Backbone interact. energy: -0.888
local terms energy: -127.751469
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -371.682225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.682225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.682225 (E_RNA)
where:
Base-Base interactions energy: -232.746
where: short stacking energy: -110.460
Base-Backbone interact. energy: 1.740
local terms energy: -140.676021
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -30.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -274.396524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.396524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.396524 (E_RNA)
where:
Base-Base interactions energy: -158.704
where: short stacking energy: -67.966
Base-Backbone interact. energy: -0.248
local terms energy: -115.444302
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -12.822
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: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -292.961753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.961753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.961753 (E_RNA)
where:
Base-Base interactions energy: -179.959
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.172
local terms energy: -112.830824
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -24.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -137.418617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.418617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.418617 (E_RNA)
where:
Base-Base interactions energy: -45.008
where: short stacking energy: -37.983
Base-Backbone interact. energy: -1.255
local terms energy: -91.156338
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: 3.019
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: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -140.714075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.714075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.714075 (E_RNA)
where:
Base-Base interactions energy: -59.879
where: short stacking energy: -43.162
Base-Backbone interact. energy: 1.337
local terms energy: -82.172034
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -482.663448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.663448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.663448 (E_RNA)
where:
Base-Base interactions energy: -330.935
where: short stacking energy: -130.356
Base-Backbone interact. energy: -1.820
local terms energy: -149.908660
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -37.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -474.830554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.830554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.830554 (E_RNA)
where:
Base-Base interactions energy: -325.517
where: short stacking energy: -147.786
Base-Backbone interact. energy: -1.132
local terms energy: -148.181163
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -42.832
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: 280
Temperature: 1.000000
Total energy: -437.383989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.383989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.383989 (E_RNA)
where:
Base-Base interactions energy: -296.722
where: short stacking energy: -134.770
Base-Backbone interact. energy: -0.487
local terms energy: -140.174748
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -37.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -409.730123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.730123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.730123 (E_RNA)
where:
Base-Base interactions energy: -262.262
where: short stacking energy: -119.077
Base-Backbone interact. energy: -0.815
local terms energy: -146.653097
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -38.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -391.851631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.851631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.851631 (E_RNA)
where:
Base-Base interactions energy: -257.218
where: short stacking energy: -119.292
Base-Backbone interact. energy: 2.350
local terms energy: -136.984151
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -36.196
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: 280
Temperature: 1.150000
Total energy: -364.218433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.218433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.218433 (E_RNA)
where:
Base-Base interactions energy: -250.797
where: short stacking energy: -99.119
Base-Backbone interact. energy: 0.292
local terms energy: -113.713354
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -29.154
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -27.783
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: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -306.175143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.175143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.175143 (E_RNA)
where:
Base-Base interactions energy: -184.761
where: short stacking energy: -77.234
Base-Backbone interact. energy: -2.013
local terms energy: -119.401117
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -308.478801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.478801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.478801 (E_RNA)
where:
Base-Base interactions energy: -188.469
where: short stacking energy: -80.763
Base-Backbone interact. energy: 1.800
local terms energy: -121.810275
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -24.384
flat angles C4'-P-C4' energy: -30.494
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -144.470487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.470487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.470487 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.462
local terms energy: -92.943952
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -143.933035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.933035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.933035 (E_RNA)
where:
Base-Base interactions energy: -63.684
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.509
local terms energy: -79.739659
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: 2.582
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: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -467.254903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.254903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.254903 (E_RNA)
where:
Base-Base interactions energy: -323.941
where: short stacking energy: -141.820
Base-Backbone interact. energy: -0.393
local terms energy: -142.921038
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -37.715
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: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -474.132913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.132913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.132913 (E_RNA)
where:
Base-Base interactions energy: -317.680
where: short stacking energy: -148.270
Base-Backbone interact. energy: -1.756
local terms energy: -154.696176
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -29.767
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -42.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -424.684748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.684748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.684748 (E_RNA)
where:
Base-Base interactions energy: -269.821
where: short stacking energy: -130.064
Base-Backbone interact. energy: -0.028
local terms energy: -154.836354
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: -40.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -406.341805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.341805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.341805 (E_RNA)
where:
Base-Base interactions energy: -268.768
where: short stacking energy: -127.821
Base-Backbone interact. energy: -0.747
local terms energy: -136.826600
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -35.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -381.061171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.061171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.061171 (E_RNA)
where:
Base-Base interactions energy: -247.751
where: short stacking energy: -126.911
Base-Backbone interact. energy: -0.206
local terms energy: -133.103776
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -301.689305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.689305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.689305 (E_RNA)
where:
Base-Base interactions energy: -198.836
where: short stacking energy: -84.833
Base-Backbone interact. energy: -0.194
local terms energy: -102.659096
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -11.731
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: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -331.703289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.703289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.703289 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -78.821
Base-Backbone interact. energy: -1.648
local terms energy: -124.604418
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -276.452492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.452492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.452492 (E_RNA)
where:
Base-Base interactions energy: -163.278
where: short stacking energy: -90.987
Base-Backbone interact. energy: -0.429
local terms energy: -112.745113
where:
bonds (distance) C4'-P energy: -25.704
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -146.399113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.399113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.399113 (E_RNA)
where:
Base-Base interactions energy: -54.416
where: short stacking energy: -51.897
Base-Backbone interact. energy: -1.378
local terms energy: -90.605977
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -131.325138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.325138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.325138 (E_RNA)
where:
Base-Base interactions energy: -53.080
where: short stacking energy: -31.324
Base-Backbone interact. energy: 1.388
local terms energy: -79.632784
where:
bonds (distance) C4'-P energy: -29.267
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: 3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -477.531273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.531273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.531273 (E_RNA)
where:
Base-Base interactions energy: -314.016
where: short stacking energy: -137.381
Base-Backbone interact. energy: -2.371
local terms energy: -161.144254
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -47.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -463.110359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.110359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.110359 (E_RNA)
where:
Base-Base interactions energy: -308.970
where: short stacking energy: -124.310
Base-Backbone interact. energy: -0.886
local terms energy: -153.254294
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -38.547
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: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -408.094575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.094575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.094575 (E_RNA)
where:
Base-Base interactions energy: -264.882
where: short stacking energy: -129.265
Base-Backbone interact. energy: -0.140
local terms energy: -143.073022
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -32.184
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -35.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -423.596144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.596144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.596144 (E_RNA)
where:
Base-Base interactions energy: -282.477
where: short stacking energy: -121.661
Base-Backbone interact. energy: -0.944
local terms energy: -140.174705
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -41.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -391.910005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.910005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.910005 (E_RNA)
where:
Base-Base interactions energy: -259.793
where: short stacking energy: -124.038
Base-Backbone interact. energy: -0.568
local terms energy: -131.548810
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -32.623
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: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -292.759142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.759142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.759142 (E_RNA)
where:
Base-Base interactions energy: -172.211
where: short stacking energy: -80.287
Base-Backbone interact. energy: -0.441
local terms energy: -120.107154
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -12.680
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: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -304.783651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.783651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.783651 (E_RNA)
where:
Base-Base interactions energy: -199.531
where: short stacking energy: -96.592
Base-Backbone interact. energy: -0.312
local terms energy: -104.940263
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -269.009636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.009636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.009636 (E_RNA)
where:
Base-Base interactions energy: -151.678
where: short stacking energy: -88.787
Base-Backbone interact. energy: 0.366
local terms energy: -117.697877
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -27.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -145.742008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.742008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.742008 (E_RNA)
where:
Base-Base interactions energy: -46.000
where: short stacking energy: -43.632
Base-Backbone interact. energy: 3.189
local terms energy: -102.931397
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -20.118
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -133.656797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.656797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.656797 (E_RNA)
where:
Base-Base interactions energy: -54.485
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.294
local terms energy: -78.877852
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -483.577004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.577004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.577004 (E_RNA)
where:
Base-Base interactions energy: -322.820
where: short stacking energy: -143.054
Base-Backbone interact. energy: -1.206
local terms energy: -159.550539
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -469.309913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.309913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.309913 (E_RNA)
where:
Base-Base interactions energy: -322.161
where: short stacking energy: -140.236
Base-Backbone interact. energy: -0.502
local terms energy: -146.647460
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -37.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -418.829821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.829821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.829821 (E_RNA)
where:
Base-Base interactions energy: -278.127
where: short stacking energy: -127.675
Base-Backbone interact. energy: 0.826
local terms energy: -141.528406
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -383.031350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.031350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.031350 (E_RNA)
where:
Base-Base interactions energy: -247.583
where: short stacking energy: -119.452
Base-Backbone interact. energy: -1.029
local terms energy: -134.419600
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -35.007
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -395.452352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.452352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.452352 (E_RNA)
where:
Base-Base interactions energy: -266.438
where: short stacking energy: -116.445
Base-Backbone interact. energy: -0.446
local terms energy: -128.568095
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -284.727258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.727258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.727258 (E_RNA)
where:
Base-Base interactions energy: -172.465
where: short stacking energy: -76.514
Base-Backbone interact. energy: -0.057
local terms energy: -112.205174
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -294.758577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.758577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.758577 (E_RNA)
where:
Base-Base interactions energy: -181.673
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.963
local terms energy: -112.122198
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -250.710551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.710551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.710551 (E_RNA)
where:
Base-Base interactions energy: -150.291
where: short stacking energy: -75.363
Base-Backbone interact. energy: -0.534
local terms energy: -99.885420
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -140.229285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.229285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.229285 (E_RNA)
where:
Base-Base interactions energy: -53.293
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.384
local terms energy: -86.552541
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: 0.955
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -158.264514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.264514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.264514 (E_RNA)
where:
Base-Base interactions energy: -57.757
where: short stacking energy: -38.783
Base-Backbone interact. energy: -1.149
local terms energy: -99.358425
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -26.683
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -486.266542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.266542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.266542 (E_RNA)
where:
Base-Base interactions energy: -337.792
where: short stacking energy: -146.116
Base-Backbone interact. energy: -0.529
local terms energy: -147.945624
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -43.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -467.799956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.799956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.799956 (E_RNA)
where:
Base-Base interactions energy: -313.243
where: short stacking energy: -124.097
Base-Backbone interact. energy: -0.699
local terms energy: -153.857789
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -38.892
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: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -418.117037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.117037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.117037 (E_RNA)
where:
Base-Base interactions energy: -275.188
where: short stacking energy: -127.247
Base-Backbone interact. energy: -0.654
local terms energy: -142.275181
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -28.043
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -37.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -407.795640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.795640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.795640 (E_RNA)
where:
Base-Base interactions energy: -264.832
where: short stacking energy: -133.551
Base-Backbone interact. energy: 0.081
local terms energy: -143.044323
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -36.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -419.937284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.937284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.937284 (E_RNA)
where:
Base-Base interactions energy: -273.829
where: short stacking energy: -114.937
Base-Backbone interact. energy: -0.412
local terms energy: -145.695852
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: -35.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -275.708086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.708086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.708086 (E_RNA)
where:
Base-Base interactions energy: -165.570
where: short stacking energy: -68.080
Base-Backbone interact. energy: -0.173
local terms energy: -109.965437
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -312.145804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.145804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.145804 (E_RNA)
where:
Base-Base interactions energy: -211.124
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.884
local terms energy: -100.137377
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -254.687208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.687208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.687208 (E_RNA)
where:
Base-Base interactions energy: -154.828
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.381
local terms energy: -99.478351
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -155.925603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.925603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.925603 (E_RNA)
where:
Base-Base interactions energy: -67.394
where: short stacking energy: -54.084
Base-Backbone interact. energy: 3.131
local terms energy: -91.662545
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -3.003
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: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -136.788042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.788042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.788042 (E_RNA)
where:
Base-Base interactions energy: -46.966
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.275
local terms energy: -89.547855
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -1.288
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: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -481.491233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.491233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.491233 (E_RNA)
where:
Base-Base interactions energy: -332.668
where: short stacking energy: -145.874
Base-Backbone interact. energy: -0.758
local terms energy: -148.065594
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -466.083164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.083164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.083164 (E_RNA)
where:
Base-Base interactions energy: -321.587
where: short stacking energy: -130.964
Base-Backbone interact. energy: -1.055
local terms energy: -143.440379
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -40.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -402.052386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.052386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.052386 (E_RNA)
where:
Base-Base interactions energy: -261.534
where: short stacking energy: -135.996
Base-Backbone interact. energy: -0.385
local terms energy: -140.133831
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -426.854087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.854087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.854087 (E_RNA)
where:
Base-Base interactions energy: -283.174
where: short stacking energy: -115.268
Base-Backbone interact. energy: -0.001
local terms energy: -143.678617
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -41.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -390.752565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.752565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.752565 (E_RNA)
where:
Base-Base interactions energy: -252.896
where: short stacking energy: -133.165
Base-Backbone interact. energy: -0.018
local terms energy: -137.838121
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -26.603
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -36.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -329.122757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.122757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.122757 (E_RNA)
where:
Base-Base interactions energy: -208.486
where: short stacking energy: -93.485
Base-Backbone interact. energy: -0.793
local terms energy: -119.843850
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -28.703
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: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -284.359618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.359618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.359618 (E_RNA)
where:
Base-Base interactions energy: -176.087
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.373
local terms energy: -107.899581
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -15.765
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: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -258.482881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.482881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.482881 (E_RNA)
where:
Base-Base interactions energy: -148.659
where: short stacking energy: -84.066
Base-Backbone interact. energy: -0.194
local terms energy: -109.629445
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -29.596
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -171.500045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.500045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.500045 (E_RNA)
where:
Base-Base interactions energy: -79.848
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.480
local terms energy: -91.171618
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: 1.237
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: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -162.865144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.865144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.865144 (E_RNA)
where:
Base-Base interactions energy: -70.451
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.013
local terms energy: -92.401218
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -3.909
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -479.486352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.486352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.486352 (E_RNA)
where:
Base-Base interactions energy: -324.812
where: short stacking energy: -148.015
Base-Backbone interact. energy: -1.140
local terms energy: -153.534660
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -44.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -454.618493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.618493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.618493 (E_RNA)
where:
Base-Base interactions energy: -320.497
where: short stacking energy: -132.245
Base-Backbone interact. energy: -0.256
local terms energy: -133.866068
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -27.311
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -37.998
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: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -450.854871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.854871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.854871 (E_RNA)
where:
Base-Base interactions energy: -296.489
where: short stacking energy: -135.646
Base-Backbone interact. energy: -0.096
local terms energy: -154.269264
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -28.961
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -47.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -378.085298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.085298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.085298 (E_RNA)
where:
Base-Base interactions energy: -241.321
where: short stacking energy: -112.542
Base-Backbone interact. energy: -0.376
local terms energy: -136.388716
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -27.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -390.912405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.912405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.912405 (E_RNA)
where:
Base-Base interactions energy: -241.485
where: short stacking energy: -122.590
Base-Backbone interact. energy: -0.678
local terms energy: -148.748599
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -34.881
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: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -372.931362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.931362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.931362 (E_RNA)
where:
Base-Base interactions energy: -248.460
where: short stacking energy: -102.928
Base-Backbone interact. energy: -1.053
local terms energy: -123.419231
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -275.051621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.051621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.051621 (E_RNA)
where:
Base-Base interactions energy: -152.814
where: short stacking energy: -84.889
Base-Backbone interact. energy: -0.520
local terms energy: -121.718124
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -265.533845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.533845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.533845 (E_RNA)
where:
Base-Base interactions energy: -164.950
where: short stacking energy: -79.281
Base-Backbone interact. energy: 0.698
local terms energy: -101.281041
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -29.091
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -181.000666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.000666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.000666 (E_RNA)
where:
Base-Base interactions energy: -85.049
where: short stacking energy: -46.909
Base-Backbone interact. energy: -1.770
local terms energy: -94.181558
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -147.806406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.806406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.806406 (E_RNA)
where:
Base-Base interactions energy: -63.393
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.142
local terms energy: -84.271110
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -478.487582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.487582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.487582 (E_RNA)
where:
Base-Base interactions energy: -321.295
where: short stacking energy: -140.017
Base-Backbone interact. energy: -1.401
local terms energy: -155.792264
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -478.214229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.214229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.214229 (E_RNA)
where:
Base-Base interactions energy: -322.237
where: short stacking energy: -131.220
Base-Backbone interact. energy: -0.379
local terms energy: -155.597252
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -25.657
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -444.423260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.423260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.423260 (E_RNA)
where:
Base-Base interactions energy: -294.242
where: short stacking energy: -126.181
Base-Backbone interact. energy: -0.742
local terms energy: -149.439455
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -31.700
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -41.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -405.770173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.770173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.770173 (E_RNA)
where:
Base-Base interactions energy: -265.671
where: short stacking energy: -138.530
Base-Backbone interact. energy: 0.192
local terms energy: -140.291378
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -31.379
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -40.870
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: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -374.310848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.310848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.310848 (E_RNA)
where:
Base-Base interactions energy: -249.278
where: short stacking energy: -123.606
Base-Backbone interact. energy: -0.590
local terms energy: -124.443496
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -29.695
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: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -347.218346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.218346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.218346 (E_RNA)
where:
Base-Base interactions energy: -219.674
where: short stacking energy: -95.917
Base-Backbone interact. energy: -0.157
local terms energy: -127.387493
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -29.564
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: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -276.291659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.291659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.291659 (E_RNA)
where:
Base-Base interactions energy: -174.428
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.686
local terms energy: -101.177505
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -259.334590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.334590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.334590 (E_RNA)
where:
Base-Base interactions energy: -149.024
where: short stacking energy: -63.336
Base-Backbone interact. energy: 0.357
local terms energy: -110.668149
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -177.734321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.734321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.734321 (E_RNA)
where:
Base-Base interactions energy: -84.717
where: short stacking energy: -51.835
Base-Backbone interact. energy: 1.382
local terms energy: -94.399043
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -6.391
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: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -134.872096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.872096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.872096 (E_RNA)
where:
Base-Base interactions energy: -49.616
where: short stacking energy: -34.945
Base-Backbone interact. energy: -0.721
local terms energy: -84.534860
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: 1.278
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: 288
Temperature: 0.900000
Total energy: -485.260259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.260259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.260259 (E_RNA)
where:
Base-Base interactions energy: -323.156
where: short stacking energy: -139.012
Base-Backbone interact. energy: -0.320
local terms energy: -161.783744
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -42.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -468.433758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.433758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.433758 (E_RNA)
where:
Base-Base interactions energy: -318.431
where: short stacking energy: -140.621
Base-Backbone interact. energy: 0.100
local terms energy: -150.102484
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -12.231
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: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -447.183910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.183910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.183910 (E_RNA)
where:
Base-Base interactions energy: -304.625
where: short stacking energy: -132.031
Base-Backbone interact. energy: -0.631
local terms energy: -141.927690
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -44.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -396.720079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.720079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.720079 (E_RNA)
where:
Base-Base interactions energy: -259.267
where: short stacking energy: -127.324
Base-Backbone interact. energy: -0.123
local terms energy: -137.329906
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -38.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -339.895355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.895355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.895355 (E_RNA)
where:
Base-Base interactions energy: -216.354
where: short stacking energy: -95.986
Base-Backbone interact. energy: -1.524
local terms energy: -122.017723
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -29.810
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -21.134
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: 288
Temperature: 1.150000
Total energy: -359.399993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.399993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.399993 (E_RNA)
where:
Base-Base interactions energy: -239.414
where: short stacking energy: -118.195
Base-Backbone interact. energy: -0.538
local terms energy: -119.448127
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -28.743
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -30.721
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: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -262.082594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.082594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.082594 (E_RNA)
where:
Base-Base interactions energy: -158.791
where: short stacking energy: -68.520
Base-Backbone interact. energy: -0.331
local terms energy: -102.961225
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -292.270124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.270124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.270124 (E_RNA)
where:
Base-Base interactions energy: -181.406
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.510
local terms energy: -110.353673
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -17.828
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: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -162.154949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.154949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.154949 (E_RNA)
where:
Base-Base interactions energy: -70.223
where: short stacking energy: -50.078
Base-Backbone interact. energy: -0.471
local terms energy: -91.460979
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -4.457
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: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -143.867587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.867587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.867587 (E_RNA)
where:
Base-Base interactions energy: -74.826
where: short stacking energy: -48.011
Base-Backbone interact. energy: -0.460
local terms energy: -68.581604
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: 2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -488.646480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.646480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.646480 (E_RNA)
where:
Base-Base interactions energy: -333.222
where: short stacking energy: -140.354
Base-Backbone interact. energy: 0.492
local terms energy: -155.916235
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -480.497656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.497656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.497656 (E_RNA)
where:
Base-Base interactions energy: -320.002
where: short stacking energy: -135.416
Base-Backbone interact. energy: -0.734
local terms energy: -159.760945
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -34.808
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -464.603951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.603951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.603951 (E_RNA)
where:
Base-Base interactions energy: -311.561
where: short stacking energy: -132.734
Base-Backbone interact. energy: -1.338
local terms energy: -151.704582
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -38.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -409.520639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.520639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.520639 (E_RNA)
where:
Base-Base interactions energy: -257.466
where: short stacking energy: -128.024
Base-Backbone interact. energy: -0.133
local terms energy: -151.921999
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -343.776771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.776771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.776771 (E_RNA)
where:
Base-Base interactions energy: -224.428
where: short stacking energy: -102.629
Base-Backbone interact. energy: 2.533
local terms energy: -121.881760
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -403.116451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.116451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.116451 (E_RNA)
where:
Base-Base interactions energy: -259.561
where: short stacking energy: -133.099
Base-Backbone interact. energy: -0.466
local terms energy: -143.089611
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -35.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -263.037151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.037151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.037151 (E_RNA)
where:
Base-Base interactions energy: -138.199
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.010
local terms energy: -124.828037
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -283.309572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.309572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.309572 (E_RNA)
where:
Base-Base interactions energy: -177.366
where: short stacking energy: -89.979
Base-Backbone interact. energy: 0.432
local terms energy: -106.375153
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -156.899973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.899973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.899973 (E_RNA)
where:
Base-Base interactions energy: -67.466
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.191
local terms energy: -89.242673
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -10.421
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: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -202.951159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.951159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.951159 (E_RNA)
where:
Base-Base interactions energy: -126.089
where: short stacking energy: -53.639
Base-Backbone interact. energy: -1.374
local terms energy: -75.487226
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -483.071821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.071821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.071821 (E_RNA)
where:
Base-Base interactions energy: -329.456
where: short stacking energy: -133.949
Base-Backbone interact. energy: -1.704
local terms energy: -151.911616
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -27.391
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -479.891400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.891400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.891400 (E_RNA)
where:
Base-Base interactions energy: -322.303
where: short stacking energy: -127.547
Base-Backbone interact. energy: 1.603
local terms energy: -159.191564
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -33.084
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -449.690877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.690877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.690877 (E_RNA)
where:
Base-Base interactions energy: -293.790
where: short stacking energy: -132.791
Base-Backbone interact. energy: -0.710
local terms energy: -155.190400
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -394.309931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.309931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.309931 (E_RNA)
where:
Base-Base interactions energy: -264.468
where: short stacking energy: -126.672
Base-Backbone interact. energy: -0.240
local terms energy: -129.602134
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -29.521
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -379.590144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.590144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.590144 (E_RNA)
where:
Base-Base interactions energy: -249.498
where: short stacking energy: -112.975
Base-Backbone interact. energy: 4.078
local terms energy: -134.169511
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: -26.108
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: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -318.853691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.853691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.853691 (E_RNA)
where:
Base-Base interactions energy: -215.817
where: short stacking energy: -91.875
Base-Backbone interact. energy: -0.587
local terms energy: -102.449751
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -275.929188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.929188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.929188 (E_RNA)
where:
Base-Base interactions energy: -155.377
where: short stacking energy: -81.297
Base-Backbone interact. energy: -1.645
local terms energy: -118.906847
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -201.534660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.534660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.534660 (E_RNA)
where:
Base-Base interactions energy: -106.634
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.926
local terms energy: -93.974552
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -146.658489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.658489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.658489 (E_RNA)
where:
Base-Base interactions energy: -54.592
where: short stacking energy: -43.074
Base-Backbone interact. energy: 1.417
local terms energy: -93.483674
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -141.061470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.061470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.061470 (E_RNA)
where:
Base-Base interactions energy: -51.579
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.602
local terms energy: -88.881096
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -475.436526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.436526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.436526 (E_RNA)
where:
Base-Base interactions energy: -320.028
where: short stacking energy: -135.996
Base-Backbone interact. energy: -0.376
local terms energy: -155.032652
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -45.035
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: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -468.943764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.943764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.943764 (E_RNA)
where:
Base-Base interactions energy: -312.782
where: short stacking energy: -143.519
Base-Backbone interact. energy: -0.374
local terms energy: -155.786994
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -43.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -488.142168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.142168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.142168 (E_RNA)
where:
Base-Base interactions energy: -343.039
where: short stacking energy: -136.923
Base-Backbone interact. energy: -0.863
local terms energy: -144.240564
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -19.010
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: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -418.323793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.323793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.323793 (E_RNA)
where:
Base-Base interactions energy: -270.553
where: short stacking energy: -139.101
Base-Backbone interact. energy: -0.028
local terms energy: -147.743030
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -45.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -389.083106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.083106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.083106 (E_RNA)
where:
Base-Base interactions energy: -249.225
where: short stacking energy: -132.676
Base-Backbone interact. energy: -0.831
local terms energy: -139.026825
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -35.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -335.734319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.734319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.734319 (E_RNA)
where:
Base-Base interactions energy: -225.339
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.547
local terms energy: -109.848359
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -281.375330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.375330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.375330 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -92.269
Base-Backbone interact. energy: -0.050
local terms energy: -113.129972
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -26.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -163.783562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.783562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.783562 (E_RNA)
where:
Base-Base interactions energy: -61.829
where: short stacking energy: -45.669
Base-Backbone interact. energy: -0.333
local terms energy: -101.621844
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -153.025764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.025764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.025764 (E_RNA)
where:
Base-Base interactions energy: -60.620
where: short stacking energy: -45.184
Base-Backbone interact. energy: -0.028
local terms energy: -92.377264
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -2.293
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: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -188.939633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.939633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.939633 (E_RNA)
where:
Base-Base interactions energy: -90.390
where: short stacking energy: -46.813
Base-Backbone interact. energy: -0.588
local terms energy: -97.961439
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -2.759
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: 292
Temperature: 0.900000
Total energy: -477.467210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.467210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.467210 (E_RNA)
where:
Base-Base interactions energy: -329.922
where: short stacking energy: -151.473
Base-Backbone interact. energy: -1.124
local terms energy: -146.421029
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -40.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -476.145520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.145520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.145520 (E_RNA)
where:
Base-Base interactions energy: -325.577
where: short stacking energy: -134.583
Base-Backbone interact. energy: 1.693
local terms energy: -152.261805
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -455.745034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.745034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.745034 (E_RNA)
where:
Base-Base interactions energy: -310.371
where: short stacking energy: -128.641
Base-Backbone interact. energy: -1.329
local terms energy: -144.045058
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -36.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -392.417210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.417210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.417210 (E_RNA)
where:
Base-Base interactions energy: -252.798
where: short stacking energy: -115.099
Base-Backbone interact. energy: -0.058
local terms energy: -139.561436
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -38.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -391.916885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.916885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.916885 (E_RNA)
where:
Base-Base interactions energy: -256.473
where: short stacking energy: -115.859
Base-Backbone interact. energy: 0.971
local terms energy: -136.415044
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -334.853755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.853755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.853755 (E_RNA)
where:
Base-Base interactions energy: -223.660
where: short stacking energy: -107.543
Base-Backbone interact. energy: -0.122
local terms energy: -111.072690
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -29.267
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: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -279.518389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.518389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.518389 (E_RNA)
where:
Base-Base interactions energy: -160.161
where: short stacking energy: -90.099
Base-Backbone interact. energy: 1.060
local terms energy: -120.417940
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -19.804
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: 292
Temperature: 1.250000
Total energy: -154.358802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.358802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.358802 (E_RNA)
where:
Base-Base interactions energy: -61.666
where: short stacking energy: -47.490
Base-Backbone interact. energy: -1.083
local terms energy: -91.610131
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -30.289
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: 0.276
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: 292
Temperature: 1.300000
Total energy: -177.947972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.947972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.947972 (E_RNA)
where:
Base-Base interactions energy: -89.244
where: short stacking energy: -46.986
Base-Backbone interact. energy: -1.488
local terms energy: -87.216406
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -0.517
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: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -141.682641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.682641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.682641 (E_RNA)
where:
Base-Base interactions energy: -51.195
where: short stacking energy: -22.370
Base-Backbone interact. energy: -1.450
local terms energy: -89.037147
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: 3.037
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: 293
Temperature: 0.900000
Total energy: -479.332686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.332686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.332686 (E_RNA)
where:
Base-Base interactions energy: -325.204
where: short stacking energy: -145.723
Base-Backbone interact. energy: 1.724
local terms energy: -155.852746
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -44.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -451.921791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.921791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.921791 (E_RNA)
where:
Base-Base interactions energy: -302.115
where: short stacking energy: -130.670
Base-Backbone interact. energy: -0.097
local terms energy: -149.709324
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -41.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -458.979077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.979077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.979077 (E_RNA)
where:
Base-Base interactions energy: -318.735
where: short stacking energy: -129.606
Base-Backbone interact. energy: 1.327
local terms energy: -141.571415
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -36.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -419.802776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.802776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.802776 (E_RNA)
where:
Base-Base interactions energy: -272.163
where: short stacking energy: -130.166
Base-Backbone interact. energy: -0.372
local terms energy: -147.268039
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -37.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -386.217317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.217317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.217317 (E_RNA)
where:
Base-Base interactions energy: -244.600
where: short stacking energy: -111.705
Base-Backbone interact. energy: 0.254
local terms energy: -141.871055
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -317.788982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.788982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.788982 (E_RNA)
where:
Base-Base interactions energy: -196.956
where: short stacking energy: -94.370
Base-Backbone interact. energy: -0.307
local terms energy: -120.525682
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -310.615449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.615449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.615449 (E_RNA)
where:
Base-Base interactions energy: -195.576
where: short stacking energy: -88.354
Base-Backbone interact. energy: -0.329
local terms energy: -114.710483
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -21.153
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: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -164.517173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.517173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.517173 (E_RNA)
where:
Base-Base interactions energy: -69.618
where: short stacking energy: -44.720
Base-Backbone interact. energy: -0.426
local terms energy: -94.473344
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -7.806
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: 293
Temperature: 1.300000
Total energy: -182.401666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.401666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.401666 (E_RNA)
where:
Base-Base interactions energy: -89.759
where: short stacking energy: -75.129
Base-Backbone interact. energy: 1.950
local terms energy: -94.592594
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -1.786
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: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -158.152739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.152739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.152739 (E_RNA)
where:
Base-Base interactions energy: -71.952
where: short stacking energy: -32.117
Base-Backbone interact. energy: 1.789
local terms energy: -87.988950
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -479.109153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.109153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.109153 (E_RNA)
where:
Base-Base interactions energy: -324.657
where: short stacking energy: -146.229
Base-Backbone interact. energy: 1.051
local terms energy: -155.502816
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -459.406536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.406536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.406536 (E_RNA)
where:
Base-Base interactions energy: -307.588
where: short stacking energy: -126.381
Base-Backbone interact. energy: -0.567
local terms energy: -151.251824
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -46.842
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: 294
Temperature: 1.000000
Total energy: -418.739428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.739428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.739428 (E_RNA)
where:
Base-Base interactions energy: -279.276
where: short stacking energy: -132.700
Base-Backbone interact. energy: -0.132
local terms energy: -139.331035
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -454.193042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.193042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.193042 (E_RNA)
where:
Base-Base interactions energy: -307.664
where: short stacking energy: -129.996
Base-Backbone interact. energy: -0.110
local terms energy: -146.418672
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -19.057
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: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -381.169470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.169470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.169470 (E_RNA)
where:
Base-Base interactions energy: -246.371
where: short stacking energy: -131.584
Base-Backbone interact. energy: -1.075
local terms energy: -133.723891
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -28.992
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -35.657
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: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -310.406379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.406379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.406379 (E_RNA)
where:
Base-Base interactions energy: -197.973
where: short stacking energy: -89.917
Base-Backbone interact. energy: -0.214
local terms energy: -112.219372
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -313.917640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.917640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.917640 (E_RNA)
where:
Base-Base interactions energy: -201.324
where: short stacking energy: -88.797
Base-Backbone interact. energy: -0.507
local terms energy: -112.086818
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -165.328639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.328639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.328639 (E_RNA)
where:
Base-Base interactions energy: -64.201
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.164
local terms energy: -100.963879
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -169.700951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.700951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.700951 (E_RNA)
where:
Base-Base interactions energy: -89.418
where: short stacking energy: -51.408
Base-Backbone interact. energy: -0.556
local terms energy: -79.727259
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -134.273386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.273386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.273386 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -45.800
Base-Backbone interact. energy: -0.380
local terms energy: -86.650456
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -467.598924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.598924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.598924 (E_RNA)
where:
Base-Base interactions energy: -318.513
where: short stacking energy: -145.899
Base-Backbone interact. energy: -1.094
local terms energy: -147.992101
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -20.725
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: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -445.447471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.447471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.447471 (E_RNA)
where:
Base-Base interactions energy: -312.082
where: short stacking energy: -131.411
Base-Backbone interact. energy: -0.134
local terms energy: -133.231982
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -41.355
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: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -437.891088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.891088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.891088 (E_RNA)
where:
Base-Base interactions energy: -289.386
where: short stacking energy: -134.467
Base-Backbone interact. energy: -0.431
local terms energy: -148.074599
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -42.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -421.213926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.213926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.213926 (E_RNA)
where:
Base-Base interactions energy: -283.290
where: short stacking energy: -124.155
Base-Backbone interact. energy: -0.966
local terms energy: -136.958216
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -21.547
tors. eta vs tors. theta energy: -32.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -356.966045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.966045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.966045 (E_RNA)
where:
Base-Base interactions energy: -228.067
where: short stacking energy: -102.123
Base-Backbone interact. energy: -0.848
local terms energy: -128.051408
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -345.831594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.831594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.831594 (E_RNA)
where:
Base-Base interactions energy: -232.751
where: short stacking energy: -97.373
Base-Backbone interact. energy: 0.638
local terms energy: -113.719141
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -268.505727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.505727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.505727 (E_RNA)
where:
Base-Base interactions energy: -172.477
where: short stacking energy: -80.785
Base-Backbone interact. energy: -0.040
local terms energy: -95.988592
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -4.737
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: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -146.477532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.477532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.477532 (E_RNA)
where:
Base-Base interactions energy: -47.285
where: short stacking energy: -43.008
Base-Backbone interact. energy: 0.083
local terms energy: -99.276040
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -156.161621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.161621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.161621 (E_RNA)
where:
Base-Base interactions energy: -60.259
where: short stacking energy: -44.678
Base-Backbone interact. energy: -0.406
local terms energy: -95.496545
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -128.197201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.197201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.197201 (E_RNA)
where:
Base-Base interactions energy: -49.371
where: short stacking energy: -38.772
Base-Backbone interact. energy: 2.015
local terms energy: -80.841006
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -476.085984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.085984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.085984 (E_RNA)
where:
Base-Base interactions energy: -322.953
where: short stacking energy: -140.336
Base-Backbone interact. energy: -0.185
local terms energy: -152.947952
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -38.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -464.215658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.215658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.215658 (E_RNA)
where:
Base-Base interactions energy: -320.116
where: short stacking energy: -122.845
Base-Backbone interact. energy: -0.900
local terms energy: -143.199902
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -28.834
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -15.562
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: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -443.034819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.034819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.034819 (E_RNA)
where:
Base-Base interactions energy: -298.965
where: short stacking energy: -129.043
Base-Backbone interact. energy: 1.666
local terms energy: -145.736480
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -28.184
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -32.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -423.658087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.658087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.658087 (E_RNA)
where:
Base-Base interactions energy: -286.722
where: short stacking energy: -143.226
Base-Backbone interact. energy: -0.642
local terms energy: -136.293657
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -40.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -368.784603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.784603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.784603 (E_RNA)
where:
Base-Base interactions energy: -245.217
where: short stacking energy: -101.133
Base-Backbone interact. energy: 0.078
local terms energy: -123.645919
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -338.953537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.953537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.953537 (E_RNA)
where:
Base-Base interactions energy: -210.889
where: short stacking energy: -105.607
Base-Backbone interact. energy: -0.758
local terms energy: -127.305648
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -28.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -297.559917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.559917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.559917 (E_RNA)
where:
Base-Base interactions energy: -184.168
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.369
local terms energy: -113.022865
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -177.950972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.950972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.950972 (E_RNA)
where:
Base-Base interactions energy: -87.614
where: short stacking energy: -52.469
Base-Backbone interact. energy: 0.041
local terms energy: -90.377861
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -28.652
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -154.537434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.537434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.537434 (E_RNA)
where:
Base-Base interactions energy: -56.308
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.285
local terms energy: -97.945091
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -26.744
flat angles P-C4'-P energy: -14.626
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: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -143.104244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.104244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.104244 (E_RNA)
where:
Base-Base interactions energy: -63.462
where: short stacking energy: -56.854
Base-Backbone interact. energy: -0.173
local terms energy: -79.469419
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -467.801326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.801326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.801326 (E_RNA)
where:
Base-Base interactions energy: -306.394
where: short stacking energy: -145.139
Base-Backbone interact. energy: -1.192
local terms energy: -160.214700
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -38.132
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: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -460.961471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.961471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.961471 (E_RNA)
where:
Base-Base interactions energy: -310.922
where: short stacking energy: -128.356
Base-Backbone interact. energy: 0.429
local terms energy: -150.467633
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -451.417149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.417149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.417149 (E_RNA)
where:
Base-Base interactions energy: -316.510
where: short stacking energy: -131.875
Base-Backbone interact. energy: -0.247
local terms energy: -134.659878
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -34.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -415.607564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.607564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.607564 (E_RNA)
where:
Base-Base interactions energy: -274.760
where: short stacking energy: -126.872
Base-Backbone interact. energy: -0.185
local terms energy: -140.662244
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -37.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -343.017134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.017134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.017134 (E_RNA)
where:
Base-Base interactions energy: -224.643
where: short stacking energy: -104.087
Base-Backbone interact. energy: -0.437
local terms energy: -117.936717
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -28.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -339.101542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.101542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.101542 (E_RNA)
where:
Base-Base interactions energy: -215.400
where: short stacking energy: -102.903
Base-Backbone interact. energy: -0.393
local terms energy: -123.308795
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -29.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -268.781742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.781742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.781742 (E_RNA)
where:
Base-Base interactions energy: -164.469
where: short stacking energy: -85.406
Base-Backbone interact. energy: -0.349
local terms energy: -103.963708
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -158.160127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.160127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.160127 (E_RNA)
where:
Base-Base interactions energy: -61.317
where: short stacking energy: -45.346
Base-Backbone interact. energy: 2.414
local terms energy: -99.257133
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -12.724
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: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -152.950480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.950480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.950480 (E_RNA)
where:
Base-Base interactions energy: -65.128
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.430
local terms energy: -87.392147
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: 2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -141.338565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.338565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.338565 (E_RNA)
where:
Base-Base interactions energy: -47.560
where: short stacking energy: -47.316
Base-Backbone interact. energy: -0.316
local terms energy: -93.462568
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -474.783216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.783216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.783216 (E_RNA)
where:
Base-Base interactions energy: -323.488
where: short stacking energy: -143.147
Base-Backbone interact. energy: -0.623
local terms energy: -150.672864
where:
bonds (distance) C4'-P energy: -32.969
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -38.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -460.034280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.034280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.034280 (E_RNA)
where:
Base-Base interactions energy: -321.284
where: short stacking energy: -132.572
Base-Backbone interact. energy: -0.230
local terms energy: -138.520370
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -42.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -419.607386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.607386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.607386 (E_RNA)
where:
Base-Base interactions energy: -273.878
where: short stacking energy: -117.281
Base-Backbone interact. energy: -0.108
local terms energy: -145.620830
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -35.628
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: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -433.724430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.724430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.724430 (E_RNA)
where:
Base-Base interactions energy: -299.064
where: short stacking energy: -124.686
Base-Backbone interact. energy: 0.304
local terms energy: -134.964423
where:
bonds (distance) C4'-P energy: -23.844
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -363.916643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.916643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.916643 (E_RNA)
where:
Base-Base interactions energy: -232.061
where: short stacking energy: -109.269
Base-Backbone interact. energy: 0.146
local terms energy: -132.001281
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -25.850
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: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -326.351662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.351662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.351662 (E_RNA)
where:
Base-Base interactions energy: -206.651
where: short stacking energy: -102.939
Base-Backbone interact. energy: -2.017
local terms energy: -117.683449
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -31.387
flat angles C4'-P-C4' energy: -26.943
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -286.784188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.784188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.784188 (E_RNA)
where:
Base-Base interactions energy: -173.316
where: short stacking energy: -75.285
Base-Backbone interact. energy: -0.406
local terms energy: -113.061328
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -170.899977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.899977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.899977 (E_RNA)
where:
Base-Base interactions energy: -79.280
where: short stacking energy: -61.385
Base-Backbone interact. energy: -1.253
local terms energy: -90.366736
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -150.998105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.998105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.998105 (E_RNA)
where:
Base-Base interactions energy: -59.455
where: short stacking energy: -48.090
Base-Backbone interact. energy: -0.591
local terms energy: -90.951962
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -11.402
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -139.915529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.915529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.915529 (E_RNA)
where:
Base-Base interactions energy: -52.770
where: short stacking energy: -35.395
Base-Backbone interact. energy: 0.067
local terms energy: -87.212889
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -475.380461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.380461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.380461 (E_RNA)
where:
Base-Base interactions energy: -320.592
where: short stacking energy: -142.228
Base-Backbone interact. energy: -0.395
local terms energy: -154.393707
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -41.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -464.852157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.852157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.852157 (E_RNA)
where:
Base-Base interactions energy: -309.746
where: short stacking energy: -123.681
Base-Backbone interact. energy: -0.018
local terms energy: -155.088136
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -19.046
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: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -429.710418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.710418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.710418 (E_RNA)
where:
Base-Base interactions energy: -282.659
where: short stacking energy: -114.664
Base-Backbone interact. energy: -0.004
local terms energy: -147.046991
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -36.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -423.076203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.076203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.076203 (E_RNA)
where:
Base-Base interactions energy: -280.485
where: short stacking energy: -123.639
Base-Backbone interact. energy: -0.416
local terms energy: -142.174907
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -36.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -386.557411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.557411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.557411 (E_RNA)
where:
Base-Base interactions energy: -244.978
where: short stacking energy: -116.520
Base-Backbone interact. energy: 0.783
local terms energy: -142.363324
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -32.017
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: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -335.749334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.749334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.749334 (E_RNA)
where:
Base-Base interactions energy: -217.890
where: short stacking energy: -101.336
Base-Backbone interact. energy: 6.355
local terms energy: -124.214723
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -28.374
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: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -289.774375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.774375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.774375 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -83.655
Base-Backbone interact. energy: 0.642
local terms energy: -99.163019
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -188.970887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.970887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.970887 (E_RNA)
where:
Base-Base interactions energy: -102.616
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.279
local terms energy: -86.075891
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -12.288
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: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -154.764225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.764225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.764225 (E_RNA)
where:
Base-Base interactions energy: -67.743
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.892
local terms energy: -86.128459
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -136.242740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.242740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.242740 (E_RNA)
where:
Base-Base interactions energy: -41.629
where: short stacking energy: -39.793
Base-Backbone interact. energy: -1.386
local terms energy: -93.227475
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -472.514360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.514360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.514360 (E_RNA)
where:
Base-Base interactions energy: -321.623
where: short stacking energy: -128.603
Base-Backbone interact. energy: -2.348
local terms energy: -148.543325
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -20.676
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: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -461.146775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.146775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.146775 (E_RNA)
where:
Base-Base interactions energy: -308.677
where: short stacking energy: -139.630
Base-Backbone interact. energy: -0.699
local terms energy: -151.770182
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -43.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -407.712486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.712486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.712486 (E_RNA)
where:
Base-Base interactions energy: -264.391
where: short stacking energy: -120.078
Base-Backbone interact. energy: -0.524
local terms energy: -142.797223
where:
bonds (distance) C4'-P energy: -26.837
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -27.193
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -35.289
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: 300
Temperature: 1.050000
Total energy: -390.910750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.910750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.910750 (E_RNA)
where:
Base-Base interactions energy: -264.466
where: short stacking energy: -115.130
Base-Backbone interact. energy: -0.199
local terms energy: -126.246116
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -27.841
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -372.177241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.177241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.177241 (E_RNA)
where:
Base-Base interactions energy: -243.035
where: short stacking energy: -115.728
Base-Backbone interact. energy: -1.664
local terms energy: -127.478109
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -32.168
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: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -347.790795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.790795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.790795 (E_RNA)
where:
Base-Base interactions energy: -228.454
where: short stacking energy: -101.770
Base-Backbone interact. energy: -0.307
local terms energy: -119.030123
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -311.009689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.009689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.009689 (E_RNA)
where:
Base-Base interactions energy: -192.887
where: short stacking energy: -101.398
Base-Backbone interact. energy: 2.199
local terms energy: -120.321561
where:
bonds (distance) C4'-P energy: -27.752
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -28.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -174.109072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.109072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.109072 (E_RNA)
where:
Base-Base interactions energy: -73.010
where: short stacking energy: -49.914
Base-Backbone interact. energy: -1.426
local terms energy: -99.672375
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -5.211
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -138.224118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.224118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.224118 (E_RNA)
where:
Base-Base interactions energy: -46.534
where: short stacking energy: -44.973
Base-Backbone interact. energy: -0.235
local terms energy: -91.454673
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -146.269459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.269459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.269459 (E_RNA)
where:
Base-Base interactions energy: -53.703
where: short stacking energy: -48.375
Base-Backbone interact. energy: -0.443
local terms energy: -92.123168
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -9.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -475.918888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.918888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.918888 (E_RNA)
where:
Base-Base interactions energy: -331.355
where: short stacking energy: -140.140
Base-Backbone interact. energy: -0.808
local terms energy: -143.755874
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -38.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -457.170088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.170088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.170088 (E_RNA)
where:
Base-Base interactions energy: -297.450
where: short stacking energy: -133.718
Base-Backbone interact. energy: -0.911
local terms energy: -158.808487
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -45.588
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: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -401.751191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.751191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.751191 (E_RNA)
where:
Base-Base interactions energy: -254.015
where: short stacking energy: -126.527
Base-Backbone interact. energy: -0.236
local terms energy: -147.500218
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -22.683
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: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -434.736913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.736913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.736913 (E_RNA)
where:
Base-Base interactions energy: -305.170
where: short stacking energy: -128.799
Base-Backbone interact. energy: 2.314
local terms energy: -131.881089
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -32.492
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: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -382.565031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.565031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.565031 (E_RNA)
where:
Base-Base interactions energy: -250.163
where: short stacking energy: -117.940
Base-Backbone interact. energy: 2.018
local terms energy: -134.420378
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -30.491
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -31.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -334.824727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.824727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.824727 (E_RNA)
where:
Base-Base interactions energy: -211.430
where: short stacking energy: -110.496
Base-Backbone interact. energy: -1.148
local terms energy: -122.246365
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -31.921
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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -267.302776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.302776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.302776 (E_RNA)
where:
Base-Base interactions energy: -164.981
where: short stacking energy: -71.122
Base-Backbone interact. energy: -1.059
local terms energy: -101.262992
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -28.136
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -154.045415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.045415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.045415 (E_RNA)
where:
Base-Base interactions energy: -58.508
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.493
local terms energy: -95.044216
where:
bonds (distance) C4'-P energy: -27.534
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -134.140765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.140765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.140765 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -42.421
Base-Backbone interact. energy: -0.585
local terms energy: -87.426811
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: 2.160
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: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -151.445807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.445807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.445807 (E_RNA)
where:
Base-Base interactions energy: -68.834
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.896
local terms energy: -81.716395
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -2.054
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: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -464.301976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.301976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.301976 (E_RNA)
where:
Base-Base interactions energy: -309.474
where: short stacking energy: -131.602
Base-Backbone interact. energy: -0.003
local terms energy: -154.825309
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -37.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -468.084357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.084357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.084357 (E_RNA)
where:
Base-Base interactions energy: -313.106
where: short stacking energy: -139.946
Base-Backbone interact. energy: -0.648
local terms energy: -154.330145
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -29.551
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -42.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -439.465207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.465207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.465207 (E_RNA)
where:
Base-Base interactions energy: -301.629
where: short stacking energy: -129.921
Base-Backbone interact. energy: -1.730
local terms energy: -136.106104
where:
bonds (distance) C4'-P energy: -30.651
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -392.764372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.764372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.764372 (E_RNA)
where:
Base-Base interactions energy: -247.191
where: short stacking energy: -121.685
Base-Backbone interact. energy: -0.095
local terms energy: -145.478253
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -37.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -382.039865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.039865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.039865 (E_RNA)
where:
Base-Base interactions energy: -241.774
where: short stacking energy: -116.401
Base-Backbone interact. energy: -0.076
local terms energy: -140.189880
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -29.437
flat angles C4'-P-C4' energy: -28.565
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -34.093
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: 302
Temperature: 1.150000
Total energy: -350.219439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.219439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.219439 (E_RNA)
where:
Base-Base interactions energy: -233.976
where: short stacking energy: -112.911
Base-Backbone interact. energy: -0.331
local terms energy: -115.913013
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -275.574423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.574423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.574423 (E_RNA)
where:
Base-Base interactions energy: -158.876
where: short stacking energy: -79.635
Base-Backbone interact. energy: -1.513
local terms energy: -115.184886
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -155.396258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.396258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.396258 (E_RNA)
where:
Base-Base interactions energy: -65.477
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.555
local terms energy: -89.364795
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -140.510814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.510814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.510814 (E_RNA)
where:
Base-Base interactions energy: -53.157
where: short stacking energy: -49.428
Base-Backbone interact. energy: -0.348
local terms energy: -87.006163
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -149.663914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.663914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.663914 (E_RNA)
where:
Base-Base interactions energy: -74.278
where: short stacking energy: -40.807
Base-Backbone interact. energy: 2.220
local terms energy: -77.606119
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: 3.782
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: 303
Temperature: 0.900000
Total energy: -469.553263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.553263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.553263 (E_RNA)
where:
Base-Base interactions energy: -317.777
where: short stacking energy: -139.956
Base-Backbone interact. energy: -0.870
local terms energy: -150.906001
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -46.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -472.530156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.530156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.530156 (E_RNA)
where:
Base-Base interactions energy: -318.486
where: short stacking energy: -137.430
Base-Backbone interact. energy: -0.180
local terms energy: -153.863624
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: -44.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -442.649659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.649659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.649659 (E_RNA)
where:
Base-Base interactions energy: -302.975
where: short stacking energy: -123.439
Base-Backbone interact. energy: -0.819
local terms energy: -138.855583
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -29.331
flat angles C4'-P-C4' energy: -26.680
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -35.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -406.336594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.336594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.336594 (E_RNA)
where:
Base-Base interactions energy: -263.573
where: short stacking energy: -128.924
Base-Backbone interact. energy: -0.291
local terms energy: -142.472756
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -35.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -371.079480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.079480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.079480 (E_RNA)
where:
Base-Base interactions energy: -243.336
where: short stacking energy: -117.946
Base-Backbone interact. energy: -1.161
local terms energy: -126.582152
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -33.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -356.011881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.011881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.011881 (E_RNA)
where:
Base-Base interactions energy: -234.844
where: short stacking energy: -94.293
Base-Backbone interact. energy: -0.822
local terms energy: -120.345980
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -256.360222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.360222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.360222 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -69.350
Base-Backbone interact. energy: 0.321
local terms energy: -105.511147
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -11.925
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: 303
Temperature: 1.250000
Total energy: -160.419657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.419657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.419657 (E_RNA)
where:
Base-Base interactions energy: -78.602
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.129
local terms energy: -81.688537
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -144.767520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.767520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.767520 (E_RNA)
where:
Base-Base interactions energy: -59.318
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.821
local terms energy: -84.629090
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -187.640730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.640730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.640730 (E_RNA)
where:
Base-Base interactions energy: -88.727
where: short stacking energy: -45.236
Base-Backbone interact. energy: -0.630
local terms energy: -98.283853
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -476.648161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.648161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.648161 (E_RNA)
where:
Base-Base interactions energy: -318.354
where: short stacking energy: -137.950
Base-Backbone interact. energy: -0.705
local terms energy: -157.589201
where:
bonds (distance) C4'-P energy: -29.181
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -22.887
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -462.442641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.442641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.442641 (E_RNA)
where:
Base-Base interactions energy: -311.234
where: short stacking energy: -133.258
Base-Backbone interact. energy: -0.328
local terms energy: -150.880364
where:
bonds (distance) C4'-P energy: -29.863
bonds (distance) P-C4' energy: -29.238
flat angles C4'-P-C4' energy: -29.733
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -443.207776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.207776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.207776 (E_RNA)
where:
Base-Base interactions energy: -315.662
where: short stacking energy: -115.810
Base-Backbone interact. energy: -0.450
local terms energy: -127.095507
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -31.083
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: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -386.849016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.849016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.849016 (E_RNA)
where:
Base-Base interactions energy: -243.883
where: short stacking energy: -110.093
Base-Backbone interact. energy: 0.399
local terms energy: -143.365440
where:
bonds (distance) C4'-P energy: -31.132
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -363.573888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.573888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.573888 (E_RNA)
where:
Base-Base interactions energy: -232.496
where: short stacking energy: -110.146
Base-Backbone interact. energy: 0.477
local terms energy: -131.554897
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -365.504366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.504366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.504366 (E_RNA)
where:
Base-Base interactions energy: -248.210
where: short stacking energy: -102.795
Base-Backbone interact. energy: 0.029
local terms energy: -117.323422
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -276.301421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.301421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.301421 (E_RNA)
where:
Base-Base interactions energy: -163.906
where: short stacking energy: -76.731
Base-Backbone interact. energy: 2.444
local terms energy: -114.839140
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -157.840419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.840419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.840419 (E_RNA)
where:
Base-Base interactions energy: -64.137
where: short stacking energy: -50.769
Base-Backbone interact. energy: -1.465
local terms energy: -92.238422
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -0.067
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: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -176.122600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.122600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.122600 (E_RNA)
where:
Base-Base interactions energy: -91.230
where: short stacking energy: -56.661
Base-Backbone interact. energy: 0.716
local terms energy: -85.608722
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -2.805
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: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -131.298123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.298123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.298123 (E_RNA)
where:
Base-Base interactions energy: -53.130
where: short stacking energy: -44.122
Base-Backbone interact. energy: 0.613
local terms energy: -78.781717
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -0.465
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: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -479.033775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.033775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.033775 (E_RNA)
where:
Base-Base interactions energy: -336.737
where: short stacking energy: -150.387
Base-Backbone interact. energy: -0.948
local terms energy: -141.348815
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -41.736
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -457.179555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.179555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.179555 (E_RNA)
where:
Base-Base interactions energy: -306.231
where: short stacking energy: -122.981
Base-Backbone interact. energy: -1.992
local terms energy: -148.956521
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -35.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -451.263031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.263031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.263031 (E_RNA)
where:
Base-Base interactions energy: -306.382
where: short stacking energy: -142.576
Base-Backbone interact. energy: -0.657
local terms energy: -144.224489
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -38.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -396.173008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.173008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.173008 (E_RNA)
where:
Base-Base interactions energy: -259.605
where: short stacking energy: -111.921
Base-Backbone interact. energy: -0.322
local terms energy: -136.246017
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -32.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -408.270037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.270037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.270037 (E_RNA)
where:
Base-Base interactions energy: -264.286
where: short stacking energy: -130.488
Base-Backbone interact. energy: -0.013
local terms energy: -143.970352
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -22.529
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: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -334.740912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.740912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.740912 (E_RNA)
where:
Base-Base interactions energy: -213.502
where: short stacking energy: -99.137
Base-Backbone interact. energy: -0.143
local terms energy: -121.096313
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -300.557999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.557999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.557999 (E_RNA)
where:
Base-Base interactions energy: -190.222
where: short stacking energy: -86.777
Base-Backbone interact. energy: -0.257
local terms energy: -110.079364
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -24.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -207.735835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735835 (E_RNA)
where:
Base-Base interactions energy: -101.316
where: short stacking energy: -57.915
Base-Backbone interact. energy: -1.187
local terms energy: -105.233228
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -145.376310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.376310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.376310 (E_RNA)
where:
Base-Base interactions energy: -57.162
where: short stacking energy: -42.328
Base-Backbone interact. energy: 0.621
local terms energy: -88.834590
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -24.556
flat angles C4'-P-C4' energy: -26.816
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: 2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -133.797479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.797479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.797479 (E_RNA)
where:
Base-Base interactions energy: -46.919
where: short stacking energy: -40.743
Base-Backbone interact. energy: 0.147
local terms energy: -87.025831
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -484.500509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.500509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.500509 (E_RNA)
where:
Base-Base interactions energy: -320.826
where: short stacking energy: -157.024
Base-Backbone interact. energy: 0.684
local terms energy: -164.358658
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -43.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -465.573111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.573111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.573111 (E_RNA)
where:
Base-Base interactions energy: -323.135
where: short stacking energy: -130.625
Base-Backbone interact. energy: 0.188
local terms energy: -142.626166
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -34.189
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: 306
Temperature: 1.000000
Total energy: -451.233093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.233093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.233093 (E_RNA)
where:
Base-Base interactions energy: -294.437
where: short stacking energy: -126.706
Base-Backbone interact. energy: -0.449
local terms energy: -156.346611
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -38.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -387.733174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.733174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.733174 (E_RNA)
where:
Base-Base interactions energy: -250.380
where: short stacking energy: -109.977
Base-Backbone interact. energy: -0.204
local terms energy: -137.149194
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -29.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -327.820513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.820513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.820513 (E_RNA)
where:
Base-Base interactions energy: -211.747
where: short stacking energy: -83.050
Base-Backbone interact. energy: -0.562
local terms energy: -115.511046
where:
bonds (distance) C4'-P energy: -28.513
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -20.922
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: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -371.949655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.949655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.949655 (E_RNA)
where:
Base-Base interactions energy: -252.273
where: short stacking energy: -112.825
Base-Backbone interact. energy: -0.852
local terms energy: -118.825001
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -28.957
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: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -289.645120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.645120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.645120 (E_RNA)
where:
Base-Base interactions energy: -174.381
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.078
local terms energy: -115.186846
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -208.924691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.924691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.924691 (E_RNA)
where:
Base-Base interactions energy: -111.947
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.657
local terms energy: -96.320359
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -159.496362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.496362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.496362 (E_RNA)
where:
Base-Base interactions energy: -76.804
where: short stacking energy: -45.958
Base-Backbone interact. energy: 0.494
local terms energy: -83.186058
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -129.092843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.092843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.092843 (E_RNA)
where:
Base-Base interactions energy: -53.375
where: short stacking energy: -36.072
Base-Backbone interact. energy: -0.287
local terms energy: -75.430022
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -3.640
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: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -478.567223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.567223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.567223 (E_RNA)
where:
Base-Base interactions energy: -327.713
where: short stacking energy: -146.567
Base-Backbone interact. energy: -0.832
local terms energy: -150.022313
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -42.157
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: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -469.410995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.410995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.410995 (E_RNA)
where:
Base-Base interactions energy: -319.085
where: short stacking energy: -132.345
Base-Backbone interact. energy: -0.631
local terms energy: -149.694627
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -27.543
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -457.666393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.666393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.666393 (E_RNA)
where:
Base-Base interactions energy: -322.150
where: short stacking energy: -134.694
Base-Backbone interact. energy: 3.104
local terms energy: -138.620267
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -41.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -375.712530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.712530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.712530 (E_RNA)
where:
Base-Base interactions energy: -240.072
where: short stacking energy: -125.697
Base-Backbone interact. energy: -0.166
local terms energy: -135.474315
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -12.956
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -351.475052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.475052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.475052 (E_RNA)
where:
Base-Base interactions energy: -232.110
where: short stacking energy: -105.780
Base-Backbone interact. energy: -1.135
local terms energy: -118.230091
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -28.012
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -17.294
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -345.597139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.597139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.597139 (E_RNA)
where:
Base-Base interactions energy: -222.558
where: short stacking energy: -105.962
Base-Backbone interact. energy: -0.309
local terms energy: -122.729964
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -274.407395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.407395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.407395 (E_RNA)
where:
Base-Base interactions energy: -163.974
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.928
local terms energy: -109.505164
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -17.737
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: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -230.007540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.007540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.007540 (E_RNA)
where:
Base-Base interactions energy: -124.819
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.290
local terms energy: -104.898625
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -145.064077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.064077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.064077 (E_RNA)
where:
Base-Base interactions energy: -63.002
where: short stacking energy: -39.949
Base-Backbone interact. energy: 1.780
local terms energy: -83.842021
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: 2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -134.264996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.264996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.264996 (E_RNA)
where:
Base-Base interactions energy: -49.495
where: short stacking energy: -35.766
Base-Backbone interact. energy: 0.974
local terms energy: -85.744728
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: 4.993
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -479.147624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.147624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.147624 (E_RNA)
where:
Base-Base interactions energy: -321.615
where: short stacking energy: -145.375
Base-Backbone interact. energy: -1.887
local terms energy: -155.645956
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -40.067
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -462.287429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.287429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.287429 (E_RNA)
where:
Base-Base interactions energy: -318.200
where: short stacking energy: -128.004
Base-Backbone interact. energy: -0.017
local terms energy: -144.070034
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -15.996
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: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -462.735299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.735299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.735299 (E_RNA)
where:
Base-Base interactions energy: -317.649
where: short stacking energy: -140.887
Base-Backbone interact. energy: -2.097
local terms energy: -142.989216
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -28.804
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -37.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -373.477144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.477144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.477144 (E_RNA)
where:
Base-Base interactions energy: -227.830
where: short stacking energy: -116.557
Base-Backbone interact. energy: -1.085
local terms energy: -144.561896
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -34.108
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: 308
Temperature: 1.100000
Total energy: -398.113224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.113224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.113224 (E_RNA)
where:
Base-Base interactions energy: -253.806
where: short stacking energy: -119.196
Base-Backbone interact. energy: -0.111
local terms energy: -144.196277
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -338.885007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.885007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.885007 (E_RNA)
where:
Base-Base interactions energy: -221.507
where: short stacking energy: -100.454
Base-Backbone interact. energy: -1.013
local terms energy: -116.364685
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -19.240
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: 308
Temperature: 1.200000
Total energy: -272.547465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.547465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.547465 (E_RNA)
where:
Base-Base interactions energy: -165.883
where: short stacking energy: -90.726
Base-Backbone interact. energy: -0.468
local terms energy: -106.196223
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -203.157510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.157510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.157510 (E_RNA)
where:
Base-Base interactions energy: -97.374
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.269
local terms energy: -105.515437
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -10.782
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: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -158.771793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.771793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.771793 (E_RNA)
where:
Base-Base interactions energy: -66.560
where: short stacking energy: -50.245
Base-Backbone interact. energy: 0.163
local terms energy: -92.375110
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -134.357473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.357473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.357473 (E_RNA)
where:
Base-Base interactions energy: -49.533
where: short stacking energy: -29.988
Base-Backbone interact. energy: -0.408
local terms energy: -84.416694
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: 6.075
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: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -476.140265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.140265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.140265 (E_RNA)
where:
Base-Base interactions energy: -314.379
where: short stacking energy: -149.156
Base-Backbone interact. energy: 2.623
local terms energy: -164.384765
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -46.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -476.136784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.136784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.136784 (E_RNA)
where:
Base-Base interactions energy: -335.565
where: short stacking energy: -138.210
Base-Backbone interact. energy: -0.677
local terms energy: -139.894703
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -33.108
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: 309
Temperature: 1.000000
Total energy: -443.575559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.575559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.575559 (E_RNA)
where:
Base-Base interactions energy: -301.541
where: short stacking energy: -138.276
Base-Backbone interact. energy: -0.046
local terms energy: -141.989236
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -43.956
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: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -385.578806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.578806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.578806 (E_RNA)
where:
Base-Base interactions energy: -253.283
where: short stacking energy: -118.522
Base-Backbone interact. energy: -0.525
local terms energy: -131.770744
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -27.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -358.633570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.633570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.633570 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -107.686
Base-Backbone interact. energy: -0.712
local terms energy: -132.866205
where:
bonds (distance) C4'-P energy: -24.459
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -322.409067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.409067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.409067 (E_RNA)
where:
Base-Base interactions energy: -218.824
where: short stacking energy: -89.493
Base-Backbone interact. energy: -0.506
local terms energy: -103.078884
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -253.451101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.451101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.451101 (E_RNA)
where:
Base-Base interactions energy: -151.879
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.177
local terms energy: -101.395489
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -202.188673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.188673 (E_RNA)
where:
Base-Base interactions energy: -116.919
where: short stacking energy: -77.407
Base-Backbone interact. energy: 0.126
local terms energy: -85.395370
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -9.454
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: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -144.422716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.422716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.422716 (E_RNA)
where:
Base-Base interactions energy: -56.269
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.103
local terms energy: -88.051076
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -6.921
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: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -133.019900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.019900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.019900 (E_RNA)
where:
Base-Base interactions energy: -44.454
where: short stacking energy: -35.109
Base-Backbone interact. energy: 1.788
local terms energy: -90.354499
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: 3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -472.372217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.372217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.372217 (E_RNA)
where:
Base-Base interactions energy: -325.321
where: short stacking energy: -138.755
Base-Backbone interact. energy: -0.481
local terms energy: -146.570419
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -35.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -477.681072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.681072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.681072 (E_RNA)
where:
Base-Base interactions energy: -319.331
where: short stacking energy: -147.569
Base-Backbone interact. energy: -1.408
local terms energy: -156.941884
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -40.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -447.610100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.610100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.610100 (E_RNA)
where:
Base-Base interactions energy: -310.201
where: short stacking energy: -122.397
Base-Backbone interact. energy: -0.463
local terms energy: -136.945790
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -32.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -404.091123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.091123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.091123 (E_RNA)
where:
Base-Base interactions energy: -274.876
where: short stacking energy: -125.276
Base-Backbone interact. energy: -0.245
local terms energy: -128.969848
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -29.152
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: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -357.288641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.288641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.288641 (E_RNA)
where:
Base-Base interactions energy: -236.553
where: short stacking energy: -100.633
Base-Backbone interact. energy: -0.574
local terms energy: -120.161202
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -22.750
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: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -341.487497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.487497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.487497 (E_RNA)
where:
Base-Base interactions energy: -216.557
where: short stacking energy: -100.051
Base-Backbone interact. energy: -0.767
local terms energy: -124.163272
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -218.548046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.548046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.548046 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.182
local terms energy: -100.419955
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -261.201154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.201154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.201154 (E_RNA)
where:
Base-Base interactions energy: -153.893
where: short stacking energy: -87.796
Base-Backbone interact. energy: -0.841
local terms energy: -106.467172
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -130.634736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.634736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.634736 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.172
local terms energy: -96.569033
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -5.372
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: 310
Temperature: 1.350000
Total energy: -145.931896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.931896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.931896 (E_RNA)
where:
Base-Base interactions energy: -65.702
where: short stacking energy: -41.697
Base-Backbone interact. energy: 0.257
local terms energy: -80.487186
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: 5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -481.761549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.761549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.761549 (E_RNA)
where:
Base-Base interactions energy: -336.559
where: short stacking energy: -141.628
Base-Backbone interact. energy: -0.391
local terms energy: -144.810985
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -38.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -448.905542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.905542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.905542 (E_RNA)
where:
Base-Base interactions energy: -296.787
where: short stacking energy: -129.324
Base-Backbone interact. energy: -0.265
local terms energy: -151.853461
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -36.760
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: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -457.208088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.208088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.208088 (E_RNA)
where:
Base-Base interactions energy: -313.500
where: short stacking energy: -135.271
Base-Backbone interact. energy: -1.282
local terms energy: -142.426042
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -42.603
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: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -355.267073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.267073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.267073 (E_RNA)
where:
Base-Base interactions energy: -227.478
where: short stacking energy: -94.951
Base-Backbone interact. energy: 0.766
local terms energy: -128.554613
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -379.174465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.174465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.174465 (E_RNA)
where:
Base-Base interactions energy: -249.286
where: short stacking energy: -108.215
Base-Backbone interact. energy: -0.222
local terms energy: -129.665746
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -35.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -340.391360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.391360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.391360 (E_RNA)
where:
Base-Base interactions energy: -211.475
where: short stacking energy: -105.862
Base-Backbone interact. energy: -0.764
local terms energy: -128.152247
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -32.482
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -27.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -175.001076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.001076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.001076 (E_RNA)
where:
Base-Base interactions energy: -83.425
where: short stacking energy: -57.156
Base-Backbone interact. energy: -1.078
local terms energy: -90.498276
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -274.105377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.105377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.105377 (E_RNA)
where:
Base-Base interactions energy: -167.840
where: short stacking energy: -87.373
Base-Backbone interact. energy: -0.144
local terms energy: -106.120554
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -147.023564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.023564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.023564 (E_RNA)
where:
Base-Base interactions energy: -60.765
where: short stacking energy: -43.741
Base-Backbone interact. energy: -1.066
local terms energy: -85.191988
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -9.881
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: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -142.170759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.170759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.170759 (E_RNA)
where:
Base-Base interactions energy: -53.511
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.171
local terms energy: -88.488392
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -452.489327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.489327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.489327 (E_RNA)
where:
Base-Base interactions energy: -298.289
where: short stacking energy: -128.005
Base-Backbone interact. energy: -0.063
local terms energy: -154.136848
where:
bonds (distance) C4'-P energy: -31.858
bonds (distance) P-C4' energy: -33.549
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -37.397
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: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -481.185355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.185355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.185355 (E_RNA)
where:
Base-Base interactions energy: -325.932
where: short stacking energy: -139.820
Base-Backbone interact. energy: -0.287
local terms energy: -154.966052
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -42.891
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: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -452.385519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.385519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.385519 (E_RNA)
where:
Base-Base interactions energy: -305.220
where: short stacking energy: -136.005
Base-Backbone interact. energy: -0.562
local terms energy: -146.604463
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -43.578
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: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -363.594584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.594584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.594584 (E_RNA)
where:
Base-Base interactions energy: -239.870
where: short stacking energy: -105.039
Base-Backbone interact. energy: -1.069
local terms energy: -122.655340
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -377.502749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.502749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.502749 (E_RNA)
where:
Base-Base interactions energy: -245.152
where: short stacking energy: -122.881
Base-Backbone interact. energy: -0.474
local terms energy: -131.876639
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -16.599
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: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -365.503393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.503393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.503393 (E_RNA)
where:
Base-Base interactions energy: -232.513
where: short stacking energy: -103.240
Base-Backbone interact. energy: -0.531
local terms energy: -132.459715
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -262.997467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.997467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.997467 (E_RNA)
where:
Base-Base interactions energy: -157.715
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.219
local terms energy: -105.064192
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -22.615
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: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -186.691863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.691863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.691863 (E_RNA)
where:
Base-Base interactions energy: -87.664
where: short stacking energy: -43.568
Base-Backbone interact. energy: -0.702
local terms energy: -98.326305
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -4.589
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: 312
Temperature: 1.300000
Total energy: -151.442609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.442609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.442609 (E_RNA)
where:
Base-Base interactions energy: -65.310
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.488
local terms energy: -85.644877
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -146.451544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.451544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.451544 (E_RNA)
where:
Base-Base interactions energy: -63.414
where: short stacking energy: -52.854
Base-Backbone interact. energy: -1.359
local terms energy: -81.678719
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: 4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -454.611609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.611609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.611609 (E_RNA)
where:
Base-Base interactions energy: -310.447
where: short stacking energy: -138.258
Base-Backbone interact. energy: 0.598
local terms energy: -144.762543
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -20.864
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: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -482.665888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.665888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.665888 (E_RNA)
where:
Base-Base interactions energy: -333.042
where: short stacking energy: -134.764
Base-Backbone interact. energy: -0.723
local terms energy: -148.900275
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -23.469
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: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -445.467996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.467996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.467996 (E_RNA)
where:
Base-Base interactions energy: -301.103
where: short stacking energy: -132.111
Base-Backbone interact. energy: -0.368
local terms energy: -143.996694
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -19.636
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: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -414.857776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.857776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.857776 (E_RNA)
where:
Base-Base interactions energy: -271.538
where: short stacking energy: -140.610
Base-Backbone interact. energy: -0.052
local terms energy: -143.267376
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -41.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -359.161254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.161254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.161254 (E_RNA)
where:
Base-Base interactions energy: -233.291
where: short stacking energy: -93.413
Base-Backbone interact. energy: -1.178
local terms energy: -124.691947
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -342.437480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.437480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.437480 (E_RNA)
where:
Base-Base interactions energy: -214.150
where: short stacking energy: -95.793
Base-Backbone interact. energy: 0.200
local terms energy: -128.487687
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -285.199318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.199318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.199318 (E_RNA)
where:
Base-Base interactions energy: -180.074
where: short stacking energy: -97.655
Base-Backbone interact. energy: -0.290
local terms energy: -104.835112
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -149.453209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.453209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.453209 (E_RNA)
where:
Base-Base interactions energy: -56.821
where: short stacking energy: -47.083
Base-Backbone interact. energy: -0.396
local terms energy: -92.236347
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -154.234468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.234468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.234468 (E_RNA)
where:
Base-Base interactions energy: -62.060
where: short stacking energy: -53.461
Base-Backbone interact. energy: -0.182
local terms energy: -91.992336
where:
bonds (distance) C4'-P energy: -26.650
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -134.601786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.601786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.601786 (E_RNA)
where:
Base-Base interactions energy: -44.544
where: short stacking energy: -39.574
Base-Backbone interact. energy: 1.847
local terms energy: -91.904693
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -481.060764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.060764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.060764 (E_RNA)
where:
Base-Base interactions energy: -337.006
where: short stacking energy: -134.874
Base-Backbone interact. energy: 0.916
local terms energy: -144.970432
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -447.840629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.840629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.840629 (E_RNA)
where:
Base-Base interactions energy: -309.182
where: short stacking energy: -131.889
Base-Backbone interact. energy: -0.082
local terms energy: -138.577353
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -37.290
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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -410.592352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.592352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.592352 (E_RNA)
where:
Base-Base interactions energy: -275.135
where: short stacking energy: -137.734
Base-Backbone interact. energy: -0.973
local terms energy: -134.484379
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -20.029
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: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -444.834738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.834738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.834738 (E_RNA)
where:
Base-Base interactions energy: -297.568
where: short stacking energy: -134.865
Base-Backbone interact. energy: -0.206
local terms energy: -147.060864
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -36.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -347.979661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.979661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.979661 (E_RNA)
where:
Base-Base interactions energy: -219.065
where: short stacking energy: -107.835
Base-Backbone interact. energy: -0.193
local terms energy: -128.721897
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -30.687
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: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -337.638345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.638345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.638345 (E_RNA)
where:
Base-Base interactions energy: -224.523
where: short stacking energy: -99.868
Base-Backbone interact. energy: -0.500
local terms energy: -112.615310
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -16.050
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: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -257.855947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.855947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.855947 (E_RNA)
where:
Base-Base interactions energy: -165.433
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.255
local terms energy: -92.167799
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -26.456
flat angles P-C4'-P energy: -10.667
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -162.085889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.085889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.085889 (E_RNA)
where:
Base-Base interactions energy: -63.371
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.436
local terms energy: -98.278429
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -160.736854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.736854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.736854 (E_RNA)
where:
Base-Base interactions energy: -73.641
where: short stacking energy: -49.892
Base-Backbone interact. energy: 0.659
local terms energy: -87.755085
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -136.138780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.138780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.138780 (E_RNA)
where:
Base-Base interactions energy: -49.753
where: short stacking energy: -28.752
Base-Backbone interact. energy: -0.486
local terms energy: -85.899658
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: 3.945
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: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -494.376659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.376659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.376659 (E_RNA)
where:
Base-Base interactions energy: -345.333
where: short stacking energy: -145.540
Base-Backbone interact. energy: -0.933
local terms energy: -148.110085
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -41.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -448.228668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.228668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.228668 (E_RNA)
where:
Base-Base interactions energy: -299.943
where: short stacking energy: -128.017
Base-Backbone interact. energy: -0.136
local terms energy: -148.149549
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -24.212
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: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -418.818459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.818459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.818459 (E_RNA)
where:
Base-Base interactions energy: -270.866
where: short stacking energy: -136.617
Base-Backbone interact. energy: 1.571
local terms energy: -149.522816
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -45.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -440.173009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.173009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.173009 (E_RNA)
where:
Base-Base interactions energy: -300.922
where: short stacking energy: -131.581
Base-Backbone interact. energy: -0.449
local terms energy: -138.801598
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -33.906
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: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -356.004291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.004291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.004291 (E_RNA)
where:
Base-Base interactions energy: -230.035
where: short stacking energy: -108.460
Base-Backbone interact. energy: -0.330
local terms energy: -125.639476
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -31.704
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -24.855
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: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -283.499165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.499165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.499165 (E_RNA)
where:
Base-Base interactions energy: -162.575
where: short stacking energy: -77.007
Base-Backbone interact. energy: 0.337
local terms energy: -121.261497
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -19.791
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -330.323959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.323959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.323959 (E_RNA)
where:
Base-Base interactions energy: -202.225
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.250
local terms energy: -127.848903
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -147.560042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.560042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.560042 (E_RNA)
where:
Base-Base interactions energy: -55.637
where: short stacking energy: -55.435
Base-Backbone interact. energy: 1.138
local terms energy: -93.060928
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -139.704623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.704623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.704623 (E_RNA)
where:
Base-Base interactions energy: -61.683
where: short stacking energy: -59.050
Base-Backbone interact. energy: 0.749
local terms energy: -78.771167
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -136.571825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.571825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.571825 (E_RNA)
where:
Base-Base interactions energy: -56.404
where: short stacking energy: -48.866
Base-Backbone interact. energy: -0.071
local terms energy: -80.096538
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -494.500263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.500263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.500263 (E_RNA)
where:
Base-Base interactions energy: -342.968
where: short stacking energy: -146.708
Base-Backbone interact. energy: 0.203
local terms energy: -151.735442
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -20.022
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: 316
Temperature: 0.950000
Total energy: -448.749453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.749453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.749453 (E_RNA)
where:
Base-Base interactions energy: -310.598
where: short stacking energy: -133.854
Base-Backbone interact. energy: -0.318
local terms energy: -137.833365
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -38.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -462.908386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.908386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.908386 (E_RNA)
where:
Base-Base interactions energy: -328.767
where: short stacking energy: -137.992
Base-Backbone interact. energy: 1.055
local terms energy: -135.195794
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -20.698
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: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -412.466159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.466159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.466159 (E_RNA)
where:
Base-Base interactions energy: -265.518
where: short stacking energy: -135.822
Base-Backbone interact. energy: -0.223
local terms energy: -146.724783
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -40.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -370.946742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.946742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.946742 (E_RNA)
where:
Base-Base interactions energy: -238.183
where: short stacking energy: -119.646
Base-Backbone interact. energy: 1.516
local terms energy: -134.279490
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -271.405739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.405739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.405739 (E_RNA)
where:
Base-Base interactions energy: -157.096
where: short stacking energy: -90.120
Base-Backbone interact. energy: -0.598
local terms energy: -113.711447
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -302.700324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.700324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.700324 (E_RNA)
where:
Base-Base interactions energy: -194.714
where: short stacking energy: -76.662
Base-Backbone interact. energy: 1.585
local terms energy: -109.572034
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -159.186950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.186950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.186950 (E_RNA)
where:
Base-Base interactions energy: -58.498
where: short stacking energy: -45.348
Base-Backbone interact. energy: -0.548
local terms energy: -100.140895
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -146.128260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.128260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.128260 (E_RNA)
where:
Base-Base interactions energy: -76.279
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.869
local terms energy: -68.980508
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: 5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -136.631800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.631800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.631800 (E_RNA)
where:
Base-Base interactions energy: -45.869
where: short stacking energy: -45.513
Base-Backbone interact. energy: -0.464
local terms energy: -90.299176
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -496.727843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.727843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.727843 (E_RNA)
where:
Base-Base interactions energy: -343.301
where: short stacking energy: -133.938
Base-Backbone interact. energy: -0.462
local terms energy: -152.964634
where:
bonds (distance) C4'-P energy: -30.580
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -447.189107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.189107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.189107 (E_RNA)
where:
Base-Base interactions energy: -299.275
where: short stacking energy: -127.856
Base-Backbone interact. energy: -1.220
local terms energy: -146.694137
where:
bonds (distance) C4'-P energy: -27.737
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -23.049
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: 317
Temperature: 1.000000
Total energy: -440.720702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.720702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.720702 (E_RNA)
where:
Base-Base interactions energy: -291.263
where: short stacking energy: -129.149
Base-Backbone interact. energy: -0.923
local terms energy: -148.534997
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -36.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -418.941721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.941721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.941721 (E_RNA)
where:
Base-Base interactions energy: -276.681
where: short stacking energy: -147.407
Base-Backbone interact. energy: -0.018
local terms energy: -142.242901
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -46.402
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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -372.731244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.731244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.731244 (E_RNA)
where:
Base-Base interactions energy: -241.943
where: short stacking energy: -122.358
Base-Backbone interact. energy: -0.600
local terms energy: -130.188126
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -16.774
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: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -316.927836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.927836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.927836 (E_RNA)
where:
Base-Base interactions energy: -212.997
where: short stacking energy: -88.946
Base-Backbone interact. energy: -0.351
local terms energy: -103.579777
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -14.878
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: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -279.359640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.359640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.359640 (E_RNA)
where:
Base-Base interactions energy: -152.477
where: short stacking energy: -86.159
Base-Backbone interact. energy: -0.217
local terms energy: -126.665441
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -178.925775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.925775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.925775 (E_RNA)
where:
Base-Base interactions energy: -74.715
where: short stacking energy: -52.587
Base-Backbone interact. energy: 0.294
local terms energy: -104.505728
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -29.534
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -178.971129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.971129 (E_RNA)
where:
Base-Base interactions energy: -99.821
where: short stacking energy: -53.467
Base-Backbone interact. energy: -2.812
local terms energy: -76.337428
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -5.470
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: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -132.622872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.622872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.622872 (E_RNA)
where:
Base-Base interactions energy: -45.937
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.533
local terms energy: -86.153234
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -462.119816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.119816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.119816 (E_RNA)
where:
Base-Base interactions energy: -313.872
where: short stacking energy: -145.145
Base-Backbone interact. energy: 2.888
local terms energy: -151.135215
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -44.707
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: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -464.105228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.105228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.105228 (E_RNA)
where:
Base-Base interactions energy: -317.752
where: short stacking energy: -130.067
Base-Backbone interact. energy: 0.348
local terms energy: -146.701372
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -21.310
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: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -413.638623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.638623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.638623 (E_RNA)
where:
Base-Base interactions energy: -262.250
where: short stacking energy: -132.028
Base-Backbone interact. energy: -0.022
local terms energy: -151.366725
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -36.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -447.754917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.754917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.754917 (E_RNA)
where:
Base-Base interactions energy: -318.644
where: short stacking energy: -149.712
Base-Backbone interact. energy: -0.934
local terms energy: -128.177365
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -43.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -392.948704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.948704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.948704 (E_RNA)
where:
Base-Base interactions energy: -255.045
where: short stacking energy: -119.958
Base-Backbone interact. energy: -1.498
local terms energy: -136.406088
where:
bonds (distance) C4'-P energy: -29.032
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -327.274308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.274308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.274308 (E_RNA)
where:
Base-Base interactions energy: -213.921
where: short stacking energy: -91.184
Base-Backbone interact. energy: -0.871
local terms energy: -112.482662
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -272.088726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.088726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.088726 (E_RNA)
where:
Base-Base interactions energy: -153.879
where: short stacking energy: -85.497
Base-Backbone interact. energy: -0.148
local terms energy: -118.061321
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -142.973972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.973972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.973972 (E_RNA)
where:
Base-Base interactions energy: -56.800
where: short stacking energy: -55.282
Base-Backbone interact. energy: 1.360
local terms energy: -87.534723
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -225.549537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.549537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.549537 (E_RNA)
where:
Base-Base interactions energy: -128.880
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.758
local terms energy: -95.911236
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -138.379551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.379551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.379551 (E_RNA)
where:
Base-Base interactions energy: -51.835
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.965
local terms energy: -85.580227
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: 3.656
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: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -453.833011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.833011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.833011 (E_RNA)
where:
Base-Base interactions energy: -292.344
where: short stacking energy: -137.720
Base-Backbone interact. energy: -1.138
local terms energy: -160.350962
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -32.193
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -42.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -475.452121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.452121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.452121 (E_RNA)
where:
Base-Base interactions energy: -327.242
where: short stacking energy: -125.987
Base-Backbone interact. energy: -0.306
local terms energy: -147.904554
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -37.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -410.731501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.731501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.731501 (E_RNA)
where:
Base-Base interactions energy: -268.869
where: short stacking energy: -119.801
Base-Backbone interact. energy: -0.187
local terms energy: -141.674869
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -35.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -447.063929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.063929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.063929 (E_RNA)
where:
Base-Base interactions energy: -296.402
where: short stacking energy: -129.100
Base-Backbone interact. energy: -0.353
local terms energy: -150.309381
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -22.743
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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -389.990569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.990569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.990569 (E_RNA)
where:
Base-Base interactions energy: -255.763
where: short stacking energy: -119.286
Base-Backbone interact. energy: -0.336
local terms energy: -133.892005
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -37.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -337.832285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.832285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.832285 (E_RNA)
where:
Base-Base interactions energy: -215.969
where: short stacking energy: -89.309
Base-Backbone interact. energy: -0.575
local terms energy: -121.288210
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -282.039485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.039485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.039485 (E_RNA)
where:
Base-Base interactions energy: -164.309
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.034
local terms energy: -117.695924
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -257.963543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.963543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.963543 (E_RNA)
where:
Base-Base interactions energy: -153.342
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.393
local terms energy: -104.228180
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -132.837543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.837543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.837543 (E_RNA)
where:
Base-Base interactions energy: -50.505
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.470
local terms energy: -81.861831
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: 6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -139.904741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.904741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.904741 (E_RNA)
where:
Base-Base interactions energy: -55.962
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.514
local terms energy: -83.428198
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -32.308
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: 1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -485.329540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.329540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.329540 (E_RNA)
where:
Base-Base interactions energy: -338.313
where: short stacking energy: -141.743
Base-Backbone interact. energy: -0.347
local terms energy: -146.669440
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -448.375917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.375917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.375917 (E_RNA)
where:
Base-Base interactions energy: -305.208
where: short stacking energy: -145.019
Base-Backbone interact. energy: -0.007
local terms energy: -143.160929
where:
bonds (distance) C4'-P energy: -25.929
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -19.247
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: 320
Temperature: 1.000000
Total energy: -466.019150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.019150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.019150 (E_RNA)
where:
Base-Base interactions energy: -314.741
where: short stacking energy: -134.559
Base-Backbone interact. energy: -1.574
local terms energy: -149.703927
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -41.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -410.408982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.408982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.408982 (E_RNA)
where:
Base-Base interactions energy: -273.246
where: short stacking energy: -128.550
Base-Backbone interact. energy: -0.048
local terms energy: -137.115120
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -15.992
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: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -365.301226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.301226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.301226 (E_RNA)
where:
Base-Base interactions energy: -224.353
where: short stacking energy: -109.711
Base-Backbone interact. energy: -0.152
local terms energy: -140.796161
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -29.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -344.970425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.970425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.970425 (E_RNA)
where:
Base-Base interactions energy: -231.046
where: short stacking energy: -110.767
Base-Backbone interact. energy: 0.624
local terms energy: -114.547829
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -34.171
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -225.247693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247693 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.452
local terms energy: -98.485848
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -12.052
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: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -259.152749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.152749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.152749 (E_RNA)
where:
Base-Base interactions energy: -152.213
where: short stacking energy: -78.319
Base-Backbone interact. energy: -0.474
local terms energy: -106.465798
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -180.008320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.008320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.008320 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.623
local terms energy: -83.458443
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -126.312727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.312727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.312727 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -26.344
Base-Backbone interact. energy: 2.588
local terms energy: -93.088486
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: 6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -486.741651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.741651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.741651 (E_RNA)
where:
Base-Base interactions energy: -340.298
where: short stacking energy: -152.769
Base-Backbone interact. energy: 1.409
local terms energy: -147.852835
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -470.014307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.014307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.014307 (E_RNA)
where:
Base-Base interactions energy: -322.218
where: short stacking energy: -147.082
Base-Backbone interact. energy: -0.338
local terms energy: -147.457970
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -12.226
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: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -453.662162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.662162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.662162 (E_RNA)
where:
Base-Base interactions energy: -299.245
where: short stacking energy: -145.807
Base-Backbone interact. energy: -0.223
local terms energy: -154.194460
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -413.009350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.009350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.009350 (E_RNA)
where:
Base-Base interactions energy: -274.906
where: short stacking energy: -137.462
Base-Backbone interact. energy: -0.021
local terms energy: -138.082592
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -18.494
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: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -373.699082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.699082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.699082 (E_RNA)
where:
Base-Base interactions energy: -242.087
where: short stacking energy: -107.593
Base-Backbone interact. energy: -0.406
local terms energy: -131.205580
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -354.480950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.480950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.480950 (E_RNA)
where:
Base-Base interactions energy: -231.234
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.681
local terms energy: -122.566391
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -261.582937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.582937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.582937 (E_RNA)
where:
Base-Base interactions energy: -160.732
where: short stacking energy: -81.045
Base-Backbone interact. energy: 1.061
local terms energy: -101.912160
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -242.316093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.316093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.316093 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.519
local terms energy: -104.201380
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -134.172481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.172481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.172481 (E_RNA)
where:
Base-Base interactions energy: -43.348
where: short stacking energy: -38.657
Base-Backbone interact. energy: 0.048
local terms energy: -90.872195
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -147.416850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.416850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.416850 (E_RNA)
where:
Base-Base interactions energy: -49.743
where: short stacking energy: -38.361
Base-Backbone interact. energy: -0.641
local terms energy: -97.032984
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -486.908614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.908614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.908614 (E_RNA)
where:
Base-Base interactions energy: -327.314
where: short stacking energy: -141.260
Base-Backbone interact. energy: -1.350
local terms energy: -158.244319
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -43.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -456.894966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.894966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.894966 (E_RNA)
where:
Base-Base interactions energy: -310.622
where: short stacking energy: -144.656
Base-Backbone interact. energy: -0.704
local terms energy: -145.568618
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: -40.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -449.860772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.860772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.860772 (E_RNA)
where:
Base-Base interactions energy: -300.663
where: short stacking energy: -133.429
Base-Backbone interact. energy: -0.531
local terms energy: -148.666573
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -42.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -400.130125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.130125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.130125 (E_RNA)
where:
Base-Base interactions energy: -271.189
where: short stacking energy: -130.112
Base-Backbone interact. energy: -0.264
local terms energy: -128.676965
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -28.636
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -31.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -349.773239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.773239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.773239 (E_RNA)
where:
Base-Base interactions energy: -229.651
where: short stacking energy: -96.288
Base-Backbone interact. energy: -2.058
local terms energy: -118.063637
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -22.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -368.699472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.699472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.699472 (E_RNA)
where:
Base-Base interactions energy: -246.606
where: short stacking energy: -118.118
Base-Backbone interact. energy: -1.558
local terms energy: -120.534960
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -32.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -287.990852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.990852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.990852 (E_RNA)
where:
Base-Base interactions energy: -170.463
where: short stacking energy: -87.774
Base-Backbone interact. energy: -1.713
local terms energy: -115.815451
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -27.804
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -15.805
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: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -260.610375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.610375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.610375 (E_RNA)
where:
Base-Base interactions energy: -145.110
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.627
local terms energy: -114.873373
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -29.288
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -158.528071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.528071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.528071 (E_RNA)
where:
Base-Base interactions energy: -56.946
where: short stacking energy: -44.916
Base-Backbone interact. energy: -0.306
local terms energy: -101.275986
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -133.327922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.327922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.327922 (E_RNA)
where:
Base-Base interactions energy: -55.228
where: short stacking energy: -41.670
Base-Backbone interact. energy: -0.177
local terms energy: -77.923457
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -486.736756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.736756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.736756 (E_RNA)
where:
Base-Base interactions energy: -328.482
where: short stacking energy: -149.445
Base-Backbone interact. energy: 0.588
local terms energy: -158.842270
where:
bonds (distance) C4'-P energy: -26.128
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -43.433
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: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -464.294722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.294722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.294722 (E_RNA)
where:
Base-Base interactions energy: -315.993
where: short stacking energy: -139.360
Base-Backbone interact. energy: -0.762
local terms energy: -147.539172
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -46.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -463.501144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.501144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.501144 (E_RNA)
where:
Base-Base interactions energy: -323.487
where: short stacking energy: -144.099
Base-Backbone interact. energy: -0.538
local terms energy: -139.475361
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -44.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -422.260350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.260350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.260350 (E_RNA)
where:
Base-Base interactions energy: -278.529
where: short stacking energy: -129.740
Base-Backbone interact. energy: 1.936
local terms energy: -145.667355
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -22.697
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: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -391.602593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.602593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.602593 (E_RNA)
where:
Base-Base interactions energy: -267.317
where: short stacking energy: -96.776
Base-Backbone interact. energy: -1.291
local terms energy: -122.994646
where:
bonds (distance) C4'-P energy: -27.198
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -25.028
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: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -332.416349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.416349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.416349 (E_RNA)
where:
Base-Base interactions energy: -209.028
where: short stacking energy: -95.245
Base-Backbone interact. energy: -0.530
local terms energy: -122.858553
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -393.556729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.556729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.556729 (E_RNA)
where:
Base-Base interactions energy: -266.037
where: short stacking energy: -114.374
Base-Backbone interact. energy: -0.395
local terms energy: -127.124780
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -33.098
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: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -254.110359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.110359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.110359 (E_RNA)
where:
Base-Base interactions energy: -138.852
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.098
local terms energy: -115.160739
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -152.852877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.852877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.852877 (E_RNA)
where:
Base-Base interactions energy: -84.970
where: short stacking energy: -43.720
Base-Backbone interact. energy: -1.155
local terms energy: -66.727333
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: 7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -132.868983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.868983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.868983 (E_RNA)
where:
Base-Base interactions energy: -49.881
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.144
local terms energy: -82.843723
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: 0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -472.919445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.919445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.919445 (E_RNA)
where:
Base-Base interactions energy: -330.756
where: short stacking energy: -143.862
Base-Backbone interact. energy: -1.086
local terms energy: -141.077114
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -38.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -462.405092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.405092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.405092 (E_RNA)
where:
Base-Base interactions energy: -313.842
where: short stacking energy: -127.731
Base-Backbone interact. energy: -0.237
local terms energy: -148.326163
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -41.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -427.785290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.785290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.785290 (E_RNA)
where:
Base-Base interactions energy: -276.683
where: short stacking energy: -142.748
Base-Backbone interact. energy: -1.300
local terms energy: -149.802914
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -39.671
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: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -421.653638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.653638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.653638 (E_RNA)
where:
Base-Base interactions energy: -293.118
where: short stacking energy: -131.619
Base-Backbone interact. energy: -0.424
local terms energy: -128.111671
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -21.272
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: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -401.307634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.307634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.307634 (E_RNA)
where:
Base-Base interactions energy: -273.580
where: short stacking energy: -112.872
Base-Backbone interact. energy: -0.667
local terms energy: -127.060126
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -30.750
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -29.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -349.963850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.963850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.963850 (E_RNA)
where:
Base-Base interactions energy: -219.711
where: short stacking energy: -111.076
Base-Backbone interact. energy: -0.780
local terms energy: -129.472861
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -30.958
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -353.389240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.389240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.389240 (E_RNA)
where:
Base-Base interactions energy: -225.352
where: short stacking energy: -98.137
Base-Backbone interact. energy: -0.410
local terms energy: -127.627325
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -254.001782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.001782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.001782 (E_RNA)
where:
Base-Base interactions energy: -147.625
where: short stacking energy: -72.930
Base-Backbone interact. energy: -0.135
local terms energy: -106.242212
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -13.508
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -158.326325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.326325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.326325 (E_RNA)
where:
Base-Base interactions energy: -79.388
where: short stacking energy: -62.064
Base-Backbone interact. energy: 0.452
local terms energy: -79.389921
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -147.806048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.806048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.806048 (E_RNA)
where:
Base-Base interactions energy: -70.784
where: short stacking energy: -38.396
Base-Backbone interact. energy: -0.530
local terms energy: -76.492108
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: 4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -477.798520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.798520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.798520 (E_RNA)
where:
Base-Base interactions energy: -327.721
where: short stacking energy: -139.796
Base-Backbone interact. energy: -2.396
local terms energy: -147.680695
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -442.746375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.746375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.746375 (E_RNA)
where:
Base-Base interactions energy: -295.440
where: short stacking energy: -144.928
Base-Backbone interact. energy: -0.481
local terms energy: -146.826032
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -42.886
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: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -451.383458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.383458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.383458 (E_RNA)
where:
Base-Base interactions energy: -298.803
where: short stacking energy: -136.230
Base-Backbone interact. energy: -0.317
local terms energy: -152.264018
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -43.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -452.645206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.645206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.645206 (E_RNA)
where:
Base-Base interactions energy: -313.910
where: short stacking energy: -131.542
Base-Backbone interact. energy: -0.296
local terms energy: -138.440012
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -38.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -401.013716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.013716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.013716 (E_RNA)
where:
Base-Base interactions energy: -277.430
where: short stacking energy: -109.393
Base-Backbone interact. energy: -0.678
local terms energy: -122.906418
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -378.278906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.278906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.278906 (E_RNA)
where:
Base-Base interactions energy: -254.238
where: short stacking energy: -117.915
Base-Backbone interact. energy: 1.165
local terms energy: -125.205524
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -344.618412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.618412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.618412 (E_RNA)
where:
Base-Base interactions energy: -221.108
where: short stacking energy: -109.805
Base-Backbone interact. energy: 1.912
local terms energy: -125.422535
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -29.150
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -26.513
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: 325
Temperature: 1.250000
Total energy: -253.518061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.518061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.518061 (E_RNA)
where:
Base-Base interactions energy: -155.171
where: short stacking energy: -75.971
Base-Backbone interact. energy: 1.808
local terms energy: -100.155175
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -142.618648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.618648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.618648 (E_RNA)
where:
Base-Base interactions energy: -48.889
where: short stacking energy: -40.259
Base-Backbone interact. energy: -0.523
local terms energy: -93.207207
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -135.944759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.944759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.944759 (E_RNA)
where:
Base-Base interactions energy: -55.346
where: short stacking energy: -43.764
Base-Backbone interact. energy: 0.483
local terms energy: -81.081323
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -466.392619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.392619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.392619 (E_RNA)
where:
Base-Base interactions energy: -301.248
where: short stacking energy: -158.858
Base-Backbone interact. energy: -0.059
local terms energy: -165.085725
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -29.183
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -47.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -485.695844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.695844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.695844 (E_RNA)
where:
Base-Base interactions energy: -333.698
where: short stacking energy: -141.390
Base-Backbone interact. energy: -0.424
local terms energy: -151.573925
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -39.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -453.530876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.530876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.530876 (E_RNA)
where:
Base-Base interactions energy: -311.675
where: short stacking energy: -139.124
Base-Backbone interact. energy: -0.791
local terms energy: -141.065133
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -38.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -416.377406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.377406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.377406 (E_RNA)
where:
Base-Base interactions energy: -285.066
where: short stacking energy: -122.160
Base-Backbone interact. energy: 0.187
local terms energy: -131.498525
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -35.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -390.050129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.050129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.050129 (E_RNA)
where:
Base-Base interactions energy: -260.175
where: short stacking energy: -125.746
Base-Backbone interact. energy: -1.049
local terms energy: -128.825775
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -29.597
flat angles P-C4'-P energy: -16.357
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: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -385.918825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.918825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.918825 (E_RNA)
where:
Base-Base interactions energy: -260.837
where: short stacking energy: -108.391
Base-Backbone interact. energy: -1.301
local terms energy: -123.781191
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -31.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -332.920022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.920022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.920022 (E_RNA)
where:
Base-Base interactions energy: -221.790
where: short stacking energy: -100.522
Base-Backbone interact. energy: 0.479
local terms energy: -111.608656
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -28.799
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -18.254
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -254.906294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.906294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.906294 (E_RNA)
where:
Base-Base interactions energy: -151.772
where: short stacking energy: -73.519
Base-Backbone interact. energy: -0.616
local terms energy: -102.518758
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -15.799
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: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -138.445307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.445307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.445307 (E_RNA)
where:
Base-Base interactions energy: -58.618
where: short stacking energy: -41.020
Base-Backbone interact. energy: 1.698
local terms energy: -81.524696
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -143.646978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.646978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.646978 (E_RNA)
where:
Base-Base interactions energy: -53.635
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.344
local terms energy: -89.668245
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -464.789077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.789077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.789077 (E_RNA)
where:
Base-Base interactions energy: -300.524
where: short stacking energy: -147.109
Base-Backbone interact. energy: -0.637
local terms energy: -163.627684
where:
bonds (distance) C4'-P energy: -30.031
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -34.884
flat angles P-C4'-P energy: -23.761
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: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -487.992468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.992468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.992468 (E_RNA)
where:
Base-Base interactions energy: -338.651
where: short stacking energy: -149.997
Base-Backbone interact. energy: -0.103
local terms energy: -149.238722
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -44.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -456.937464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.937464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.937464 (E_RNA)
where:
Base-Base interactions energy: -303.822
where: short stacking energy: -137.178
Base-Backbone interact. energy: 1.091
local terms energy: -154.206692
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -23.300
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -423.041754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.041754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.041754 (E_RNA)
where:
Base-Base interactions energy: -288.989
where: short stacking energy: -128.513
Base-Backbone interact. energy: -0.331
local terms energy: -133.721131
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -389.544243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.544243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.544243 (E_RNA)
where:
Base-Base interactions energy: -255.208
where: short stacking energy: -121.906
Base-Backbone interact. energy: -0.534
local terms energy: -133.801821
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -34.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -351.551755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.551755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.551755 (E_RNA)
where:
Base-Base interactions energy: -220.537
where: short stacking energy: -113.510
Base-Backbone interact. energy: -0.105
local terms energy: -130.909116
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -372.380028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.380028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.380028 (E_RNA)
where:
Base-Base interactions energy: -259.260
where: short stacking energy: -105.786
Base-Backbone interact. energy: 2.360
local terms energy: -115.480400
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -263.339639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.339639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.339639 (E_RNA)
where:
Base-Base interactions energy: -163.656
where: short stacking energy: -81.260
Base-Backbone interact. energy: -0.194
local terms energy: -99.489984
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -138.696698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.696698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.696698 (E_RNA)
where:
Base-Base interactions energy: -68.577
where: short stacking energy: -48.090
Base-Backbone interact. energy: -1.297
local terms energy: -68.822029
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -127.302771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.302771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.302771 (E_RNA)
where:
Base-Base interactions energy: -44.363
where: short stacking energy: -42.433
Base-Backbone interact. energy: 1.007
local terms energy: -83.947393
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -485.343677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.343677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.343677 (E_RNA)
where:
Base-Base interactions energy: -331.477
where: short stacking energy: -132.042
Base-Backbone interact. energy: -1.233
local terms energy: -152.633860
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -41.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -440.633404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.633404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.633404 (E_RNA)
where:
Base-Base interactions energy: -286.109
where: short stacking energy: -151.312
Base-Backbone interact. energy: -0.004
local terms energy: -154.520842
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -19.870
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -462.475536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.475536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.475536 (E_RNA)
where:
Base-Base interactions energy: -315.352
where: short stacking energy: -135.964
Base-Backbone interact. energy: -0.294
local terms energy: -146.829463
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -41.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -416.080835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.080835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.080835 (E_RNA)
where:
Base-Base interactions energy: -280.660
where: short stacking energy: -125.936
Base-Backbone interact. energy: -0.666
local terms energy: -134.754429
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -35.584
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: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -389.723150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.723150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.723150 (E_RNA)
where:
Base-Base interactions energy: -266.754
where: short stacking energy: -119.770
Base-Backbone interact. energy: -0.219
local terms energy: -122.750482
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -36.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -359.570951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.570951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.570951 (E_RNA)
where:
Base-Base interactions energy: -232.008
where: short stacking energy: -110.627
Base-Backbone interact. energy: -0.875
local terms energy: -126.687445
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -30.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -385.753479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.753479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.753479 (E_RNA)
where:
Base-Base interactions energy: -269.460
where: short stacking energy: -118.351
Base-Backbone interact. energy: -0.129
local terms energy: -116.164624
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -284.037506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.037506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.037506 (E_RNA)
where:
Base-Base interactions energy: -176.928
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.322
local terms energy: -106.787448
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -143.417618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.417618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.417618 (E_RNA)
where:
Base-Base interactions energy: -57.308
where: short stacking energy: -45.228
Base-Backbone interact. energy: 0.649
local terms energy: -86.758686
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -123.975860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.975860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.975860 (E_RNA)
where:
Base-Base interactions energy: -40.414
where: short stacking energy: -39.795
Base-Backbone interact. energy: -0.412
local terms energy: -83.150199
where:
bonds (distance) C4'-P energy: -28.817
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: 1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -481.775591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.775591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.775591 (E_RNA)
where:
Base-Base interactions energy: -321.453
where: short stacking energy: -140.191
Base-Backbone interact. energy: -0.100
local terms energy: -160.222541
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -34.726
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -39.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -468.984877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.984877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.984877 (E_RNA)
where:
Base-Base interactions energy: -315.252
where: short stacking energy: -133.296
Base-Backbone interact. energy: -0.306
local terms energy: -153.427486
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -44.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -431.351508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.351508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.351508 (E_RNA)
where:
Base-Base interactions energy: -275.093
where: short stacking energy: -137.292
Base-Backbone interact. energy: -0.080
local terms energy: -156.178651
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -39.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -419.617369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.617369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.617369 (E_RNA)
where:
Base-Base interactions energy: -299.751
where: short stacking energy: -132.586
Base-Backbone interact. energy: -0.453
local terms energy: -119.413764
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -403.176958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.176958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.176958 (E_RNA)
where:
Base-Base interactions energy: -271.011
where: short stacking energy: -116.939
Base-Backbone interact. energy: -1.198
local terms energy: -130.968666
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -32.322
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -379.647093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.647093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.647093 (E_RNA)
where:
Base-Base interactions energy: -264.495
where: short stacking energy: -94.604
Base-Backbone interact. energy: -1.315
local terms energy: -113.836760
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -19.089
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: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -343.289011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.289011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.289011 (E_RNA)
where:
Base-Base interactions energy: -203.889
where: short stacking energy: -99.458
Base-Backbone interact. energy: -1.491
local terms energy: -137.909697
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -30.630
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -249.684100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.684100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.684100 (E_RNA)
where:
Base-Base interactions energy: -154.574
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.596
local terms energy: -94.513922
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -142.642053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.642053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.642053 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -37.023
Base-Backbone interact. energy: -0.427
local terms energy: -102.977137
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -118.587212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.587212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.587212 (E_RNA)
where:
Base-Base interactions energy: -47.368
where: short stacking energy: -37.172
Base-Backbone interact. energy: 2.373
local terms energy: -73.592039
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: 6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -491.997025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.997025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.997025 (E_RNA)
where:
Base-Base interactions energy: -342.611
where: short stacking energy: -141.911
Base-Backbone interact. energy: 3.356
local terms energy: -152.741525
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -454.582605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.582605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.582605 (E_RNA)
where:
Base-Base interactions energy: -307.646
where: short stacking energy: -133.449
Base-Backbone interact. energy: 0.281
local terms energy: -147.216861
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -28.992
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -36.728
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: 330
Temperature: 1.000000
Total energy: -421.175160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.175160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.175160 (E_RNA)
where:
Base-Base interactions energy: -273.005
where: short stacking energy: -133.623
Base-Backbone interact. energy: -1.507
local terms energy: -146.662849
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -40.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -424.451265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.451265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.451265 (E_RNA)
where:
Base-Base interactions energy: -274.094
where: short stacking energy: -124.510
Base-Backbone interact. energy: -0.129
local terms energy: -150.227565
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -42.537
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: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -373.114994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.114994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.114994 (E_RNA)
where:
Base-Base interactions energy: -247.154
where: short stacking energy: -107.459
Base-Backbone interact. energy: -0.273
local terms energy: -125.687734
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -398.665855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.665855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.665855 (E_RNA)
where:
Base-Base interactions energy: -270.228
where: short stacking energy: -132.225
Base-Backbone interact. energy: -0.272
local terms energy: -128.166195
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -35.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -361.037966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.037966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.037966 (E_RNA)
where:
Base-Base interactions energy: -229.096
where: short stacking energy: -116.001
Base-Backbone interact. energy: -0.135
local terms energy: -131.807236
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -21.491
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: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -266.698116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.698116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.698116 (E_RNA)
where:
Base-Base interactions energy: -159.490
where: short stacking energy: -66.751
Base-Backbone interact. energy: 0.397
local terms energy: -107.604996
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -157.684512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.684512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.684512 (E_RNA)
where:
Base-Base interactions energy: -67.765
where: short stacking energy: -37.344
Base-Backbone interact. energy: -0.612
local terms energy: -89.307437
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -169.015099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.015099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.015099 (E_RNA)
where:
Base-Base interactions energy: -74.191
where: short stacking energy: -57.203
Base-Backbone interact. energy: 2.761
local terms energy: -97.585565
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -16.021
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: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -485.084560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.084560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.084560 (E_RNA)
where:
Base-Base interactions energy: -330.127
where: short stacking energy: -131.637
Base-Backbone interact. energy: 0.728
local terms energy: -155.686370
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -38.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -477.823548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.823548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.823548 (E_RNA)
where:
Base-Base interactions energy: -319.824
where: short stacking energy: -133.985
Base-Backbone interact. energy: -1.771
local terms energy: -156.228574
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -44.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -427.507212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.507212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.507212 (E_RNA)
where:
Base-Base interactions energy: -282.082
where: short stacking energy: -135.005
Base-Backbone interact. energy: -0.839
local terms energy: -144.586522
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -40.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -434.791493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.791493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.791493 (E_RNA)
where:
Base-Base interactions energy: -304.087
where: short stacking energy: -124.703
Base-Backbone interact. energy: 0.088
local terms energy: -130.792403
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -39.395
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -370.521556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.521556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.521556 (E_RNA)
where:
Base-Base interactions energy: -252.127
where: short stacking energy: -91.833
Base-Backbone interact. energy: -0.955
local terms energy: -117.439377
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -22.729
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: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -370.411323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.411323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.411323 (E_RNA)
where:
Base-Base interactions energy: -242.649
where: short stacking energy: -126.035
Base-Backbone interact. energy: -1.108
local terms energy: -126.653758
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -40.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -329.160950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.160950 (E_RNA)
where:
Base-Base interactions energy: -202.310
where: short stacking energy: -100.995
Base-Backbone interact. energy: 0.112
local terms energy: -126.962934
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -29.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -260.519079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.519079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.519079 (E_RNA)
where:
Base-Base interactions energy: -156.388
where: short stacking energy: -67.015
Base-Backbone interact. energy: -2.280
local terms energy: -101.851329
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -145.512419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.512419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.512419 (E_RNA)
where:
Base-Base interactions energy: -54.549
where: short stacking energy: -38.734
Base-Backbone interact. energy: 0.378
local terms energy: -91.342353
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -141.016096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.016096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.016096 (E_RNA)
where:
Base-Base interactions energy: -44.426
where: short stacking energy: -39.876
Base-Backbone interact. energy: -0.560
local terms energy: -96.030064
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -7.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -481.068682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.068682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.068682 (E_RNA)
where:
Base-Base interactions energy: -324.705
where: short stacking energy: -139.082
Base-Backbone interact. energy: -0.204
local terms energy: -156.160277
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -40.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -468.540018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.540018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.540018 (E_RNA)
where:
Base-Base interactions energy: -319.570
where: short stacking energy: -143.967
Base-Backbone interact. energy: 0.766
local terms energy: -149.735167
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -43.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -443.292897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.292897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.292897 (E_RNA)
where:
Base-Base interactions energy: -308.876
where: short stacking energy: -139.586
Base-Backbone interact. energy: -0.598
local terms energy: -133.819340
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -43.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -406.207093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.207093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.207093 (E_RNA)
where:
Base-Base interactions energy: -263.917
where: short stacking energy: -127.696
Base-Backbone interact. energy: -0.147
local terms energy: -142.143114
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -21.753
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: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -373.997364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.997364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.997364 (E_RNA)
where:
Base-Base interactions energy: -248.185
where: short stacking energy: -107.989
Base-Backbone interact. energy: -0.224
local terms energy: -125.588123
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -27.778
flat angles C4'-P-C4' energy: -27.900
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -372.163830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.163830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.163830 (E_RNA)
where:
Base-Base interactions energy: -250.943
where: short stacking energy: -108.294
Base-Backbone interact. energy: -0.888
local terms energy: -120.332114
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -17.236
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: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -339.469659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.469659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.469659 (E_RNA)
where:
Base-Base interactions energy: -226.350
where: short stacking energy: -92.683
Base-Backbone interact. energy: -0.303
local terms energy: -112.816850
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -259.595918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.595918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.595918 (E_RNA)
where:
Base-Base interactions energy: -156.484
where: short stacking energy: -73.719
Base-Backbone interact. energy: -1.519
local terms energy: -101.592287
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -24.351
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -16.964
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -141.682190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.682190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.682190 (E_RNA)
where:
Base-Base interactions energy: -54.058
where: short stacking energy: -49.661
Base-Backbone interact. energy: -0.500
local terms energy: -87.124018
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: 0.896
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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -133.002350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.002350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.002350 (E_RNA)
where:
Base-Base interactions energy: -39.094
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.926
local terms energy: -92.982637
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -479.640785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.640785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.640785 (E_RNA)
where:
Base-Base interactions energy: -329.827
where: short stacking energy: -139.663
Base-Backbone interact. energy: -0.234
local terms energy: -149.579624
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -39.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -468.293101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.293101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.293101 (E_RNA)
where:
Base-Base interactions energy: -305.675
where: short stacking energy: -140.735
Base-Backbone interact. energy: -0.422
local terms energy: -162.196628
where:
bonds (distance) C4'-P energy: -33.284
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -43.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -440.181723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.181723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.181723 (E_RNA)
where:
Base-Base interactions energy: -303.216
where: short stacking energy: -125.495
Base-Backbone interact. energy: -0.079
local terms energy: -136.886606
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -17.273
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -392.528084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.528084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.528084 (E_RNA)
where:
Base-Base interactions energy: -258.031
where: short stacking energy: -119.776
Base-Backbone interact. energy: -0.183
local terms energy: -134.314109
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -380.866658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.866658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.866658 (E_RNA)
where:
Base-Base interactions energy: -247.706
where: short stacking energy: -115.574
Base-Backbone interact. energy: 0.042
local terms energy: -133.202475
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -354.567529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.567529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.567529 (E_RNA)
where:
Base-Base interactions energy: -231.998
where: short stacking energy: -106.532
Base-Backbone interact. energy: -0.847
local terms energy: -121.723137
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -25.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -338.581972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.581972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.581972 (E_RNA)
where:
Base-Base interactions energy: -218.785
where: short stacking energy: -100.393
Base-Backbone interact. energy: -0.865
local terms energy: -118.931662
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -23.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -266.494438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.494438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.494438 (E_RNA)
where:
Base-Base interactions energy: -154.533
where: short stacking energy: -63.272
Base-Backbone interact. energy: -1.932
local terms energy: -110.029636
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -144.472354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.472354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.472354 (E_RNA)
where:
Base-Base interactions energy: -60.846
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.094
local terms energy: -83.532735
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -138.489582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.489582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.489582 (E_RNA)
where:
Base-Base interactions energy: -49.538
where: short stacking energy: -41.685
Base-Backbone interact. energy: -0.204
local terms energy: -88.748108
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -490.459804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.459804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.459804 (E_RNA)
where:
Base-Base interactions energy: -337.607
where: short stacking energy: -133.020
Base-Backbone interact. energy: -0.462
local terms energy: -152.390057
where:
bonds (distance) C4'-P energy: -28.410
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -42.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -460.804055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.804055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.804055 (E_RNA)
where:
Base-Base interactions energy: -308.396
where: short stacking energy: -134.177
Base-Backbone interact. energy: -1.450
local terms energy: -150.957438
where:
bonds (distance) C4'-P energy: -30.657
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -43.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -450.925154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.925154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.925154 (E_RNA)
where:
Base-Base interactions energy: -309.828
where: short stacking energy: -126.563
Base-Backbone interact. energy: -0.372
local terms energy: -140.725495
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -37.807
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: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -383.002384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.002384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.002384 (E_RNA)
where:
Base-Base interactions energy: -250.324
where: short stacking energy: -112.575
Base-Backbone interact. energy: -0.163
local terms energy: -132.515177
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -33.027
flat angles P-C4'-P energy: -18.443
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: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -386.683534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.683534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.683534 (E_RNA)
where:
Base-Base interactions energy: -246.940
where: short stacking energy: -117.333
Base-Backbone interact. energy: -0.060
local terms energy: -139.684113
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -37.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -340.159597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.159597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.159597 (E_RNA)
where:
Base-Base interactions energy: -234.817
where: short stacking energy: -107.008
Base-Backbone interact. energy: 4.285
local terms energy: -109.627341
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -16.620
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: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -311.974631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.974631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.974631 (E_RNA)
where:
Base-Base interactions energy: -187.331
where: short stacking energy: -98.648
Base-Backbone interact. energy: -0.002
local terms energy: -124.641707
where:
bonds (distance) C4'-P energy: -23.474
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -275.640060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.640060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.640060 (E_RNA)
where:
Base-Base interactions energy: -180.920
where: short stacking energy: -103.286
Base-Backbone interact. energy: -0.150
local terms energy: -94.570009
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -176.395570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.395570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.395570 (E_RNA)
where:
Base-Base interactions energy: -92.359
where: short stacking energy: -43.541
Base-Backbone interact. energy: 1.784
local terms energy: -85.820702
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -131.742185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.742185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.742185 (E_RNA)
where:
Base-Base interactions energy: -57.082
where: short stacking energy: -47.486
Base-Backbone interact. energy: -0.200
local terms energy: -74.459644
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -477.146257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.146257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.146257 (E_RNA)
where:
Base-Base interactions energy: -325.030
where: short stacking energy: -132.466
Base-Backbone interact. energy: -0.272
local terms energy: -151.843986
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -39.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -472.728929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.728929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.728929 (E_RNA)
where:
Base-Base interactions energy: -324.839
where: short stacking energy: -132.189
Base-Backbone interact. energy: -0.697
local terms energy: -147.193239
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -32.579
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -39.047
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: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -462.781953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.781953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.781953 (E_RNA)
where:
Base-Base interactions energy: -322.511
where: short stacking energy: -142.713
Base-Backbone interact. energy: 0.166
local terms energy: -140.437543
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -39.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -405.559016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.559016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.559016 (E_RNA)
where:
Base-Base interactions energy: -249.950
where: short stacking energy: -129.018
Base-Backbone interact. energy: -0.178
local terms energy: -155.430890
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -37.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -393.957485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.957485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.957485 (E_RNA)
where:
Base-Base interactions energy: -260.038
where: short stacking energy: -128.206
Base-Backbone interact. energy: -1.013
local terms energy: -132.906501
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -36.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -358.094481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.094481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.094481 (E_RNA)
where:
Base-Base interactions energy: -222.258
where: short stacking energy: -109.014
Base-Backbone interact. energy: -0.011
local terms energy: -135.824959
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -31.775
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: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -371.067273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.067273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.067273 (E_RNA)
where:
Base-Base interactions energy: -242.118
where: short stacking energy: -105.942
Base-Backbone interact. energy: -1.189
local terms energy: -127.760753
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -261.942465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.942465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.942465 (E_RNA)
where:
Base-Base interactions energy: -147.842
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.461
local terms energy: -113.639588
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -140.648063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.648063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.648063 (E_RNA)
where:
Base-Base interactions energy: -57.374
where: short stacking energy: -30.889
Base-Backbone interact. energy: -0.315
local terms energy: -82.958337
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: 0.366
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: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -136.618724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.618724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.618724 (E_RNA)
where:
Base-Base interactions energy: -41.057
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.515
local terms energy: -95.046128
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -28.384
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: 1.900
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: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -499.614453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.614453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.614453 (E_RNA)
where:
Base-Base interactions energy: -342.496
where: short stacking energy: -144.315
Base-Backbone interact. energy: -0.220
local terms energy: -156.899147
where:
bonds (distance) C4'-P energy: -32.756
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -43.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -456.864744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.864744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.864744 (E_RNA)
where:
Base-Base interactions energy: -306.478
where: short stacking energy: -128.928
Base-Backbone interact. energy: -0.023
local terms energy: -150.364272
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -43.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -460.493992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.493992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.493992 (E_RNA)
where:
Base-Base interactions energy: -301.648
where: short stacking energy: -135.165
Base-Backbone interact. energy: -0.516
local terms energy: -158.330347
where:
bonds (distance) C4'-P energy: -32.912
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -40.253
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: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -397.500084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.500084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.500084 (E_RNA)
where:
Base-Base interactions energy: -252.375
where: short stacking energy: -122.343
Base-Backbone interact. energy: -0.676
local terms energy: -144.448882
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -34.233
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: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -413.466709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.466709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.466709 (E_RNA)
where:
Base-Base interactions energy: -275.069
where: short stacking energy: -131.429
Base-Backbone interact. energy: -0.107
local terms energy: -138.289875
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -358.086533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.086533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.086533 (E_RNA)
where:
Base-Base interactions energy: -229.306
where: short stacking energy: -107.755
Base-Backbone interact. energy: -0.635
local terms energy: -128.145600
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -29.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -341.729349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.729349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.729349 (E_RNA)
where:
Base-Base interactions energy: -226.105
where: short stacking energy: -90.217
Base-Backbone interact. energy: -1.318
local terms energy: -114.306264
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -26.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -260.520547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.520547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.520547 (E_RNA)
where:
Base-Base interactions energy: -151.101
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.114
local terms energy: -109.306059
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -151.261530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.261530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.261530 (E_RNA)
where:
Base-Base interactions energy: -53.573
where: short stacking energy: -40.539
Base-Backbone interact. energy: 0.083
local terms energy: -97.770870
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -139.876796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.876796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.876796 (E_RNA)
where:
Base-Base interactions energy: -58.985
where: short stacking energy: -38.535
Base-Backbone interact. energy: -0.596
local terms energy: -80.295556
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -500.419965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.419965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.419965 (E_RNA)
where:
Base-Base interactions energy: -345.620
where: short stacking energy: -140.345
Base-Backbone interact. energy: -0.877
local terms energy: -153.923644
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -21.440
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: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -468.440767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.440767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.440767 (E_RNA)
where:
Base-Base interactions energy: -316.514
where: short stacking energy: -141.295
Base-Backbone interact. energy: -0.101
local terms energy: -151.825596
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -45.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -461.171020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.171020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.171020 (E_RNA)
where:
Base-Base interactions energy: -320.774
where: short stacking energy: -137.835
Base-Backbone interact. energy: -1.476
local terms energy: -138.921532
where:
bonds (distance) C4'-P energy: -24.753
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -42.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -395.769346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.769346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.769346 (E_RNA)
where:
Base-Base interactions energy: -250.609
where: short stacking energy: -127.777
Base-Backbone interact. energy: -0.021
local terms energy: -145.139650
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -27.017
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -383.161413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.161413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.161413 (E_RNA)
where:
Base-Base interactions energy: -257.381
where: short stacking energy: -108.453
Base-Backbone interact. energy: -0.545
local terms energy: -125.235430
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -328.115033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.115033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.115033 (E_RNA)
where:
Base-Base interactions energy: -218.690
where: short stacking energy: -87.325
Base-Backbone interact. energy: 0.214
local terms energy: -109.639638
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -23.658
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: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -340.036835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.036835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.036835 (E_RNA)
where:
Base-Base interactions energy: -218.988
where: short stacking energy: -115.772
Base-Backbone interact. energy: -1.254
local terms energy: -119.794689
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -32.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -278.059089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.059089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.059089 (E_RNA)
where:
Base-Base interactions energy: -174.687
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.787
local terms energy: -102.584773
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -21.401
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: 337
Temperature: 1.300000
Total energy: -146.105863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.105863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.105863 (E_RNA)
where:
Base-Base interactions energy: -64.771
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.488
local terms energy: -80.845990
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -136.890344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.890344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.890344 (E_RNA)
where:
Base-Base interactions energy: -49.761
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.440
local terms energy: -86.689768
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -486.755626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.755626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.755626 (E_RNA)
where:
Base-Base interactions energy: -347.310
where: short stacking energy: -144.596
Base-Backbone interact. energy: -0.182
local terms energy: -139.263877
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -35.251
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -39.916
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -469.755512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.755512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.755512 (E_RNA)
where:
Base-Base interactions energy: -311.775
where: short stacking energy: -138.182
Base-Backbone interact. energy: -0.461
local terms energy: -157.519657
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -47.665
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -459.054375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.054375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.054375 (E_RNA)
where:
Base-Base interactions energy: -310.760
where: short stacking energy: -141.049
Base-Backbone interact. energy: -2.025
local terms energy: -146.269047
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -41.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -388.395578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.395578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.395578 (E_RNA)
where:
Base-Base interactions energy: -244.853
where: short stacking energy: -122.715
Base-Backbone interact. energy: -0.210
local terms energy: -143.332225
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -34.798
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -35.499
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -383.043409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.043409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.043409 (E_RNA)
where:
Base-Base interactions energy: -238.962
where: short stacking energy: -118.617
Base-Backbone interact. energy: -0.322
local terms energy: -143.759447
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -32.151
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -30.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -327.301050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.301050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.301050 (E_RNA)
where:
Base-Base interactions energy: -214.087
where: short stacking energy: -78.092
Base-Backbone interact. energy: 2.341
local terms energy: -115.554896
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -340.152063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.152063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.152063 (E_RNA)
where:
Base-Base interactions energy: -199.187
where: short stacking energy: -87.274
Base-Backbone interact. energy: -0.141
local terms energy: -140.824429
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -28.146
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -29.078
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: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -268.083158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.083158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.083158 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -84.607
Base-Backbone interact. energy: -0.399
local terms energy: -104.430488
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -130.632052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.632052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.632052 (E_RNA)
where:
Base-Base interactions energy: -58.218
where: short stacking energy: -36.525
Base-Backbone interact. energy: -0.589
local terms energy: -71.825467
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: 10.290
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: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -138.769126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.769126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.769126 (E_RNA)
where:
Base-Base interactions energy: -48.028
where: short stacking energy: -46.514
Base-Backbone interact. energy: 0.062
local terms energy: -90.803939
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: 0.121
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: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -482.958594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.958594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.958594 (E_RNA)
where:
Base-Base interactions energy: -326.207
where: short stacking energy: -129.905
Base-Backbone interact. energy: -0.579
local terms energy: -156.172541
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -41.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -439.418817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.418817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.418817 (E_RNA)
where:
Base-Base interactions energy: -291.781
where: short stacking energy: -127.830
Base-Backbone interact. energy: -0.004
local terms energy: -147.634581
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -38.119
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: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -454.583492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.583492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.583492 (E_RNA)
where:
Base-Base interactions energy: -306.604
where: short stacking energy: -137.910
Base-Backbone interact. energy: 1.166
local terms energy: -149.145166
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -37.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -389.644504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.644504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.644504 (E_RNA)
where:
Base-Base interactions energy: -248.546
where: short stacking energy: -112.109
Base-Backbone interact. energy: -0.316
local terms energy: -140.781991
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -28.908
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -34.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -381.191265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.191265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.191265 (E_RNA)
where:
Base-Base interactions energy: -249.643
where: short stacking energy: -110.944
Base-Backbone interact. energy: -0.716
local terms energy: -130.832187
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -27.954
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -31.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -338.638283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.638283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.638283 (E_RNA)
where:
Base-Base interactions energy: -202.655
where: short stacking energy: -94.724
Base-Backbone interact. energy: -0.383
local terms energy: -135.599729
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -29.098
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: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -317.476675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.476675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.476675 (E_RNA)
where:
Base-Base interactions energy: -208.007
where: short stacking energy: -97.805
Base-Backbone interact. energy: 1.418
local terms energy: -110.888055
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -259.095341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.095341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.095341 (E_RNA)
where:
Base-Base interactions energy: -153.530
where: short stacking energy: -76.664
Base-Backbone interact. energy: -0.258
local terms energy: -105.307615
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -147.497759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.497759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.497759 (E_RNA)
where:
Base-Base interactions energy: -52.464
where: short stacking energy: -47.519
Base-Backbone interact. energy: -0.242
local terms energy: -94.791337
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -132.116153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.116153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.116153 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -50.041
Base-Backbone interact. energy: 0.544
local terms energy: -82.257086
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: 0.093
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: 340
Temperature: 0.900000
Total energy: -488.172400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.172400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.172400 (E_RNA)
where:
Base-Base interactions energy: -333.591
where: short stacking energy: -135.802
Base-Backbone interact. energy: 1.708
local terms energy: -156.289715
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -24.235
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: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -462.989405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.989405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.989405 (E_RNA)
where:
Base-Base interactions energy: -311.969
where: short stacking energy: -122.621
Base-Backbone interact. energy: -0.364
local terms energy: -150.656476
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -43.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -462.945080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.945080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.945080 (E_RNA)
where:
Base-Base interactions energy: -315.850
where: short stacking energy: -138.304
Base-Backbone interact. energy: -1.130
local terms energy: -145.965185
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -41.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -393.145844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.145844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.145844 (E_RNA)
where:
Base-Base interactions energy: -245.888
where: short stacking energy: -128.839
Base-Backbone interact. energy: -0.013
local terms energy: -147.244271
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -33.813
flat angles P-C4'-P energy: -20.125
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: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -386.377305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.377305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.377305 (E_RNA)
where:
Base-Base interactions energy: -250.577
where: short stacking energy: -110.455
Base-Backbone interact. energy: -0.373
local terms energy: -135.427547
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -31.175
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: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -346.791273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.791273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.791273 (E_RNA)
where:
Base-Base interactions energy: -214.160
where: short stacking energy: -103.786
Base-Backbone interact. energy: -0.018
local terms energy: -132.612621
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -324.168439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.168439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.168439 (E_RNA)
where:
Base-Base interactions energy: -217.244
where: short stacking energy: -96.033
Base-Backbone interact. energy: 2.613
local terms energy: -109.537936
where:
bonds (distance) C4'-P energy: -28.621
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -259.191785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.191785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.191785 (E_RNA)
where:
Base-Base interactions energy: -147.204
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.239
local terms energy: -111.749004
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -15.115
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: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -151.298749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.298749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.298749 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.304
local terms energy: -101.981794
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -135.372600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.372600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.372600 (E_RNA)
where:
Base-Base interactions energy: -64.032
where: short stacking energy: -42.839
Base-Backbone interact. energy: 0.510
local terms energy: -71.850369
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: 2.846
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: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -485.088178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.088178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.088178 (E_RNA)
where:
Base-Base interactions energy: -331.863
where: short stacking energy: -137.051
Base-Backbone interact. energy: -0.741
local terms energy: -152.483657
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -41.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -471.971782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.971782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.971782 (E_RNA)
where:
Base-Base interactions energy: -324.007
where: short stacking energy: -150.900
Base-Backbone interact. energy: 0.125
local terms energy: -148.090076
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -40.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -450.510535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.510535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.510535 (E_RNA)
where:
Base-Base interactions energy: -302.820
where: short stacking energy: -132.947
Base-Backbone interact. energy: -0.182
local terms energy: -147.508610
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -24.641
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: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -419.767428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.767428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.767428 (E_RNA)
where:
Base-Base interactions energy: -266.288
where: short stacking energy: -135.439
Base-Backbone interact. energy: 0.022
local terms energy: -153.501089
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -41.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -380.695052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.695052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.695052 (E_RNA)
where:
Base-Base interactions energy: -237.201
where: short stacking energy: -107.590
Base-Backbone interact. energy: 1.271
local terms energy: -144.765093
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -30.577
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -34.839
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: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -350.062009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.062009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.062009 (E_RNA)
where:
Base-Base interactions energy: -229.293
where: short stacking energy: -101.747
Base-Backbone interact. energy: -0.523
local terms energy: -120.246407
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -28.800
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -311.734669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.734669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.734669 (E_RNA)
where:
Base-Base interactions energy: -191.213
where: short stacking energy: -88.067
Base-Backbone interact. energy: -0.405
local terms energy: -120.117126
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -251.576474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.576474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.576474 (E_RNA)
where:
Base-Base interactions energy: -144.353
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.413
local terms energy: -106.810880
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -161.842456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.842456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.842456 (E_RNA)
where:
Base-Base interactions energy: -64.474
where: short stacking energy: -49.573
Base-Backbone interact. energy: -0.182
local terms energy: -97.185787
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -135.176795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.176795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.176795 (E_RNA)
where:
Base-Base interactions energy: -58.247
where: short stacking energy: -35.961
Base-Backbone interact. energy: -1.751
local terms energy: -75.178276
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: 6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -471.886804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.886804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.886804 (E_RNA)
where:
Base-Base interactions energy: -327.099
where: short stacking energy: -132.929
Base-Backbone interact. energy: -1.596
local terms energy: -143.191194
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -29.436
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -36.151
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: 342
Temperature: 0.950000
Total energy: -474.289832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.289832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.289832 (E_RNA)
where:
Base-Base interactions energy: -320.713
where: short stacking energy: -131.645
Base-Backbone interact. energy: -0.001
local terms energy: -153.576062
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -42.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -456.372520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.372520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.372520 (E_RNA)
where:
Base-Base interactions energy: -318.010
where: short stacking energy: -137.886
Base-Backbone interact. energy: 0.254
local terms energy: -138.616782
where:
bonds (distance) C4'-P energy: -29.071
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -15.835
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -369.804625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.804625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.804625 (E_RNA)
where:
Base-Base interactions energy: -248.055
where: short stacking energy: -100.635
Base-Backbone interact. energy: -0.791
local terms energy: -120.958601
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -26.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -399.948754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.948754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.948754 (E_RNA)
where:
Base-Base interactions energy: -254.054
where: short stacking energy: -121.900
Base-Backbone interact. energy: -0.217
local terms energy: -145.677339
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -35.601
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -37.172
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: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -328.384509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.384509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.384509 (E_RNA)
where:
Base-Base interactions energy: -201.333
where: short stacking energy: -102.347
Base-Backbone interact. energy: -1.208
local terms energy: -125.843009
where:
bonds (distance) C4'-P energy: -27.462
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -22.277
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -313.661110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.661110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.661110 (E_RNA)
where:
Base-Base interactions energy: -204.928
where: short stacking energy: -99.525
Base-Backbone interact. energy: -0.464
local terms energy: -108.268988
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -277.874381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.874381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.874381 (E_RNA)
where:
Base-Base interactions energy: -164.008
where: short stacking energy: -80.585
Base-Backbone interact. energy: -0.206
local terms energy: -113.660189
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -17.214
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: 342
Temperature: 1.300000
Total energy: -136.239699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.239699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.239699 (E_RNA)
where:
Base-Base interactions energy: -55.627
where: short stacking energy: -25.574
Base-Backbone interact. energy: -1.445
local terms energy: -79.167448
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -136.173144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.173144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.173144 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -37.115
Base-Backbone interact. energy: 0.223
local terms energy: -97.048226
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -464.091890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.091890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.091890 (E_RNA)
where:
Base-Base interactions energy: -320.126
where: short stacking energy: -133.725
Base-Backbone interact. energy: -0.835
local terms energy: -143.131006
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -19.395
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: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -470.514458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.514458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.514458 (E_RNA)
where:
Base-Base interactions energy: -316.477
where: short stacking energy: -138.143
Base-Backbone interact. energy: -0.966
local terms energy: -153.071145
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -39.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -453.026883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.026883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.026883 (E_RNA)
where:
Base-Base interactions energy: -305.027
where: short stacking energy: -135.333
Base-Backbone interact. energy: 0.391
local terms energy: -148.391114
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -43.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -419.664178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.664178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.664178 (E_RNA)
where:
Base-Base interactions energy: -276.885
where: short stacking energy: -128.613
Base-Backbone interact. energy: -0.638
local terms energy: -142.141477
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -38.891
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: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -384.028264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.028264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.028264 (E_RNA)
where:
Base-Base interactions energy: -245.677
where: short stacking energy: -119.304
Base-Backbone interact. energy: -0.113
local terms energy: -138.238061
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -34.043
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: 343
Temperature: 1.150000
Total energy: -330.396758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.396758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.396758 (E_RNA)
where:
Base-Base interactions energy: -211.932
where: short stacking energy: -95.305
Base-Backbone interact. energy: -1.335
local terms energy: -117.129961
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -332.491310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.491310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.491310 (E_RNA)
where:
Base-Base interactions energy: -209.604
where: short stacking energy: -101.120
Base-Backbone interact. energy: -0.447
local terms energy: -122.439641
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -24.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -259.315904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.315904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.315904 (E_RNA)
where:
Base-Base interactions energy: -163.546
where: short stacking energy: -70.459
Base-Backbone interact. energy: 0.145
local terms energy: -95.914298
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -145.869336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.869336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.869336 (E_RNA)
where:
Base-Base interactions energy: -62.507
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.162
local terms energy: -83.200229
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -134.728922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.728922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.728922 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -39.994
Base-Backbone interact. energy: -1.232
local terms energy: -88.733397
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -1.852
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: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -480.645180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.645180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.645180 (E_RNA)
where:
Base-Base interactions energy: -345.415
where: short stacking energy: -139.047
Base-Backbone interact. energy: -0.743
local terms energy: -134.487623
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -25.871
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -39.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -477.295951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.295951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.295951 (E_RNA)
where:
Base-Base interactions energy: -320.918
where: short stacking energy: -139.126
Base-Backbone interact. energy: -0.805
local terms energy: -155.573374
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -437.783793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.783793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.783793 (E_RNA)
where:
Base-Base interactions energy: -306.572
where: short stacking energy: -125.986
Base-Backbone interact. energy: 0.197
local terms energy: -131.409340
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -35.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -454.465660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.465660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.465660 (E_RNA)
where:
Base-Base interactions energy: -301.017
where: short stacking energy: -134.437
Base-Backbone interact. energy: -0.687
local terms energy: -152.760995
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -403.855377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.855377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.855377 (E_RNA)
where:
Base-Base interactions energy: -265.355
where: short stacking energy: -125.962
Base-Backbone interact. energy: -0.643
local terms energy: -137.857757
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -38.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -354.681927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.681927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.681927 (E_RNA)
where:
Base-Base interactions energy: -219.442
where: short stacking energy: -103.549
Base-Backbone interact. energy: -0.323
local terms energy: -134.917324
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -29.360
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -29.783
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: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -318.120153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.120153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.120153 (E_RNA)
where:
Base-Base interactions energy: -198.399
where: short stacking energy: -100.864
Base-Backbone interact. energy: -0.469
local terms energy: -119.252216
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -255.334848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.334848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.334848 (E_RNA)
where:
Base-Base interactions energy: -155.479
where: short stacking energy: -84.544
Base-Backbone interact. energy: -0.613
local terms energy: -99.242147
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -187.771146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.771146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.771146 (E_RNA)
where:
Base-Base interactions energy: -98.508
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.668
local terms energy: -88.595093
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -132.937382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.937382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.937382 (E_RNA)
where:
Base-Base interactions energy: -43.298
where: short stacking energy: -45.614
Base-Backbone interact. energy: 1.914
local terms energy: -91.552953
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -476.666325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.666325 (E_RNA)
where:
Base-Base interactions energy: -337.837
where: short stacking energy: -133.691
Base-Backbone interact. energy: -0.233
local terms energy: -138.596486
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -39.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -466.378917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.378917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.378917 (E_RNA)
where:
Base-Base interactions energy: -316.396
where: short stacking energy: -138.276
Base-Backbone interact. energy: -0.938
local terms energy: -149.044411
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -42.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -416.670580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.670580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.670580 (E_RNA)
where:
Base-Base interactions energy: -276.705
where: short stacking energy: -127.332
Base-Backbone interact. energy: -1.971
local terms energy: -137.994069
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -20.934
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -437.471515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.471515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.471515 (E_RNA)
where:
Base-Base interactions energy: -297.696
where: short stacking energy: -119.262
Base-Backbone interact. energy: -0.270
local terms energy: -139.505559
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -41.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -391.662824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.662824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.662824 (E_RNA)
where:
Base-Base interactions energy: -251.456
where: short stacking energy: -123.990
Base-Backbone interact. energy: -0.086
local terms energy: -140.120269
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -37.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -365.877560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.877560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.877560 (E_RNA)
where:
Base-Base interactions energy: -225.722
where: short stacking energy: -103.953
Base-Backbone interact. energy: -0.173
local terms energy: -139.983233
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -309.547585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.547585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.547585 (E_RNA)
where:
Base-Base interactions energy: -200.993
where: short stacking energy: -78.874
Base-Backbone interact. energy: 0.617
local terms energy: -109.172357
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -16.963
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: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -273.008708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.008708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.008708 (E_RNA)
where:
Base-Base interactions energy: -169.113
where: short stacking energy: -93.387
Base-Backbone interact. energy: 1.846
local terms energy: -105.741656
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -29.355
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -231.928673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.928673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.928673 (E_RNA)
where:
Base-Base interactions energy: -129.963
where: short stacking energy: -59.824
Base-Backbone interact. energy: -1.060
local terms energy: -100.906312
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -125.462668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.462668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.462668 (E_RNA)
where:
Base-Base interactions energy: -47.526
where: short stacking energy: -42.829
Base-Backbone interact. energy: -0.356
local terms energy: -77.580816
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -476.640736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.640736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.640736 (E_RNA)
where:
Base-Base interactions energy: -334.437
where: short stacking energy: -135.612
Base-Backbone interact. energy: -0.865
local terms energy: -141.338319
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -40.779
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: 346
Temperature: 0.950000
Total energy: -474.720723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.720723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.720723 (E_RNA)
where:
Base-Base interactions energy: -324.764
where: short stacking energy: -134.017
Base-Backbone interact. energy: -0.490
local terms energy: -149.467233
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -31.840
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -40.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -413.803061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.803061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.803061 (E_RNA)
where:
Base-Base interactions energy: -282.754
where: short stacking energy: -140.791
Base-Backbone interact. energy: -1.181
local terms energy: -129.867740
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -38.312
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: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -429.559344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.559344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.559344 (E_RNA)
where:
Base-Base interactions energy: -296.808
where: short stacking energy: -131.499
Base-Backbone interact. energy: -0.130
local terms energy: -132.621063
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -40.343
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: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -393.976048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.976048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.976048 (E_RNA)
where:
Base-Base interactions energy: -250.925
where: short stacking energy: -130.497
Base-Backbone interact. energy: -0.454
local terms energy: -142.597790
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -38.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -357.535925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.535925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.535925 (E_RNA)
where:
Base-Base interactions energy: -238.617
where: short stacking energy: -115.854
Base-Backbone interact. energy: -1.591
local terms energy: -117.327686
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -28.856
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -27.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -273.908584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.908584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.908584 (E_RNA)
where:
Base-Base interactions energy: -157.122
where: short stacking energy: -75.784
Base-Backbone interact. energy: -0.954
local terms energy: -115.831774
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -318.211307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.211307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.211307 (E_RNA)
where:
Base-Base interactions energy: -197.324
where: short stacking energy: -87.977
Base-Backbone interact. energy: 0.405
local terms energy: -121.292826
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -22.449
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: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -251.274989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.274989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.274989 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -71.209
Base-Backbone interact. energy: -0.640
local terms energy: -91.895691
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -9.544
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: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -161.844448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.844448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.844448 (E_RNA)
where:
Base-Base interactions energy: -62.208
where: short stacking energy: -47.836
Base-Backbone interact. energy: 0.437
local terms energy: -100.073223
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -481.796256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.796256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.796256 (E_RNA)
where:
Base-Base interactions energy: -325.654
where: short stacking energy: -140.785
Base-Backbone interact. energy: -1.191
local terms energy: -154.951205
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -42.645
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: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -471.928065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.928065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.928065 (E_RNA)
where:
Base-Base interactions energy: -327.543
where: short stacking energy: -138.417
Base-Backbone interact. energy: -1.169
local terms energy: -143.215863
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -33.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -421.271629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.271629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.271629 (E_RNA)
where:
Base-Base interactions energy: -275.113
where: short stacking energy: -131.033
Base-Backbone interact. energy: -0.058
local terms energy: -146.100312
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -40.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -426.092547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.092547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.092547 (E_RNA)
where:
Base-Base interactions energy: -289.390
where: short stacking energy: -135.029
Base-Backbone interact. energy: -0.043
local terms energy: -136.659288
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -26.771
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -45.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -389.579919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.579919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.579919 (E_RNA)
where:
Base-Base interactions energy: -253.986
where: short stacking energy: -125.400
Base-Backbone interact. energy: -0.464
local terms energy: -135.130795
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -20.777
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: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -341.653109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.653109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.653109 (E_RNA)
where:
Base-Base interactions energy: -209.441
where: short stacking energy: -101.895
Base-Backbone interact. energy: -0.586
local terms energy: -131.626067
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -271.403004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.403004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.403004 (E_RNA)
where:
Base-Base interactions energy: -178.510
where: short stacking energy: -84.526
Base-Backbone interact. energy: 1.749
local terms energy: -94.641967
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -12.778
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: 347
Temperature: 1.250000
Total energy: -313.394714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.394714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.394714 (E_RNA)
where:
Base-Base interactions energy: -193.765
where: short stacking energy: -90.526
Base-Backbone interact. energy: -0.239
local terms energy: -119.390378
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -244.599437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.599437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.599437 (E_RNA)
where:
Base-Base interactions energy: -137.190
where: short stacking energy: -82.415
Base-Backbone interact. energy: -0.325
local terms energy: -107.083782
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -19.091
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -148.776953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.776953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.776953 (E_RNA)
where:
Base-Base interactions energy: -72.424
where: short stacking energy: -54.700
Base-Backbone interact. energy: 0.181
local terms energy: -76.534210
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -466.885477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.885477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.885477 (E_RNA)
where:
Base-Base interactions energy: -314.976
where: short stacking energy: -141.558
Base-Backbone interact. energy: -0.585
local terms energy: -151.324527
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -21.328
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -477.907811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.907811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.907811 (E_RNA)
where:
Base-Base interactions energy: -330.346
where: short stacking energy: -144.241
Base-Backbone interact. energy: -0.945
local terms energy: -146.617249
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -439.342503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.342503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.342503 (E_RNA)
where:
Base-Base interactions energy: -301.166
where: short stacking energy: -114.193
Base-Backbone interact. energy: -0.517
local terms energy: -137.660076
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -33.723
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -410.684807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.684807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.684807 (E_RNA)
where:
Base-Base interactions energy: -264.272
where: short stacking energy: -127.673
Base-Backbone interact. energy: -1.670
local terms energy: -144.742930
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -39.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -389.094229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.094229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.094229 (E_RNA)
where:
Base-Base interactions energy: -253.586
where: short stacking energy: -120.882
Base-Backbone interact. energy: 0.258
local terms energy: -135.765869
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -379.355156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.355156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.355156 (E_RNA)
where:
Base-Base interactions energy: -248.927
where: short stacking energy: -115.194
Base-Backbone interact. energy: 0.198
local terms energy: -130.625860
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -35.176
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: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -335.491967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.491967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.491967 (E_RNA)
where:
Base-Base interactions energy: -213.100
where: short stacking energy: -93.913
Base-Backbone interact. energy: 0.683
local terms energy: -123.075753
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -20.979
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: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -261.281592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.281592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.281592 (E_RNA)
where:
Base-Base interactions energy: -155.488
where: short stacking energy: -76.804
Base-Backbone interact. energy: 1.060
local terms energy: -106.853825
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -10.253
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: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -236.919731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.919731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.919731 (E_RNA)
where:
Base-Base interactions energy: -131.579
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.687
local terms energy: -104.653560
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -131.967078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.967078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.967078 (E_RNA)
where:
Base-Base interactions energy: -55.817
where: short stacking energy: -44.037
Base-Backbone interact. energy: 0.313
local terms energy: -76.462713
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -478.966184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.966184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.966184 (E_RNA)
where:
Base-Base interactions energy: -323.726
where: short stacking energy: -130.868
Base-Backbone interact. energy: -4.182
local terms energy: -151.058132
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -33.427
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -471.089851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.089851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.089851 (E_RNA)
where:
Base-Base interactions energy: -321.872
where: short stacking energy: -124.910
Base-Backbone interact. energy: -1.481
local terms energy: -147.736589
where:
bonds (distance) C4'-P energy: -30.604
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -455.182959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.182959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.182959 (E_RNA)
where:
Base-Base interactions energy: -306.647
where: short stacking energy: -134.757
Base-Backbone interact. energy: 0.135
local terms energy: -148.670557
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -32.937
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -41.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -433.963231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.963231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.963231 (E_RNA)
where:
Base-Base interactions energy: -290.904
where: short stacking energy: -140.064
Base-Backbone interact. energy: -1.864
local terms energy: -141.194357
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -41.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -366.119860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.119860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.119860 (E_RNA)
where:
Base-Base interactions energy: -233.908
where: short stacking energy: -100.833
Base-Backbone interact. energy: -0.609
local terms energy: -131.603071
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -30.604
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -26.655
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: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -343.111890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.111890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.111890 (E_RNA)
where:
Base-Base interactions energy: -229.719
where: short stacking energy: -106.120
Base-Backbone interact. energy: -1.527
local terms energy: -111.865917
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -343.805706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.805706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.805706 (E_RNA)
where:
Base-Base interactions energy: -222.674
where: short stacking energy: -101.293
Base-Backbone interact. energy: -0.187
local terms energy: -120.945101
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -16.061
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -249.272844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.272844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.272844 (E_RNA)
where:
Base-Base interactions energy: -143.533
where: short stacking energy: -76.219
Base-Backbone interact. energy: -0.165
local terms energy: -105.574858
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -12.381
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: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -244.314078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.314078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.314078 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -74.262
Base-Backbone interact. energy: 0.993
local terms energy: -104.078909
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -141.505498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.505498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.505498 (E_RNA)
where:
Base-Base interactions energy: -51.724
where: short stacking energy: -42.092
Base-Backbone interact. energy: -1.031
local terms energy: -88.750355
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -473.799118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.799118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.799118 (E_RNA)
where:
Base-Base interactions energy: -328.692
where: short stacking energy: -131.851
Base-Backbone interact. energy: 1.617
local terms energy: -146.724693
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -23.542
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: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -448.740516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.740516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.740516 (E_RNA)
where:
Base-Base interactions energy: -303.763
where: short stacking energy: -129.042
Base-Backbone interact. energy: -0.684
local terms energy: -144.293827
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -37.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -464.775884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.775884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.775884 (E_RNA)
where:
Base-Base interactions energy: -315.217
where: short stacking energy: -142.874
Base-Backbone interact. energy: -0.924
local terms energy: -148.634536
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -43.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -422.540603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.540603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.540603 (E_RNA)
where:
Base-Base interactions energy: -273.807
where: short stacking energy: -124.820
Base-Backbone interact. energy: 0.474
local terms energy: -149.207634
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -38.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -393.156114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.156114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.156114 (E_RNA)
where:
Base-Base interactions energy: -253.010
where: short stacking energy: -132.463
Base-Backbone interact. energy: -0.145
local terms energy: -140.000593
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -37.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -349.774901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.774901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.774901 (E_RNA)
where:
Base-Base interactions energy: -230.003
where: short stacking energy: -89.225
Base-Backbone interact. energy: -0.296
local terms energy: -119.476247
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -26.663
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: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -274.474321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.474321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.474321 (E_RNA)
where:
Base-Base interactions energy: -162.827
where: short stacking energy: -82.329
Base-Backbone interact. energy: -0.762
local terms energy: -110.885459
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -322.256973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.256973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.256973 (E_RNA)
where:
Base-Base interactions energy: -204.227
where: short stacking energy: -91.933
Base-Backbone interact. energy: -0.349
local terms energy: -117.680989
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -7.671
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: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -246.862270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.862270 (E_RNA)
where:
Base-Base interactions energy: -140.761
where: short stacking energy: -66.387
Base-Backbone interact. energy: -1.801
local terms energy: -104.300741
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -16.345
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: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -129.366004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.366004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.366004 (E_RNA)
where:
Base-Base interactions energy: -49.628
where: short stacking energy: -25.528
Base-Backbone interact. energy: -0.244
local terms energy: -79.494186
where:
bonds (distance) C4'-P energy: -32.752
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: 15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -479.762530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.762530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.762530 (E_RNA)
where:
Base-Base interactions energy: -328.499
where: short stacking energy: -138.472
Base-Backbone interact. energy: -0.063
local terms energy: -151.200638
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -34.022
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -35.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -450.293149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.293149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.293149 (E_RNA)
where:
Base-Base interactions energy: -301.494
where: short stacking energy: -125.035
Base-Backbone interact. energy: -0.108
local terms energy: -148.691235
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -24.889
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: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -459.596876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.596876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.596876 (E_RNA)
where:
Base-Base interactions energy: -307.504
where: short stacking energy: -131.708
Base-Backbone interact. energy: 0.412
local terms energy: -152.504869
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -23.742
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -407.378238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.378238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.378238 (E_RNA)
where:
Base-Base interactions energy: -268.176
where: short stacking energy: -128.958
Base-Backbone interact. energy: -0.442
local terms energy: -138.760055
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -16.802
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: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -409.781283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.781283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.781283 (E_RNA)
where:
Base-Base interactions energy: -272.418
where: short stacking energy: -127.625
Base-Backbone interact. energy: -0.492
local terms energy: -136.871528
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -17.821
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -334.205564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.205564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.205564 (E_RNA)
where:
Base-Base interactions energy: -200.846
where: short stacking energy: -102.509
Base-Backbone interact. energy: -0.649
local terms energy: -132.710937
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -257.902948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.902948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.902948 (E_RNA)
where:
Base-Base interactions energy: -153.624
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.156
local terms energy: -104.122863
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -335.579434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.579434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.579434 (E_RNA)
where:
Base-Base interactions energy: -211.416
where: short stacking energy: -107.352
Base-Backbone interact. energy: -1.021
local terms energy: -123.142387
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -30.038
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: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -272.423713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.423713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.423713 (E_RNA)
where:
Base-Base interactions energy: -171.107
where: short stacking energy: -71.127
Base-Backbone interact. energy: 0.027
local terms energy: -101.343188
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -135.728036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.728036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.728036 (E_RNA)
where:
Base-Base interactions energy: -51.516
where: short stacking energy: -27.998
Base-Backbone interact. energy: 0.957
local terms energy: -85.169270
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: 10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -459.860393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.860393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.860393 (E_RNA)
where:
Base-Base interactions energy: -318.184
where: short stacking energy: -139.485
Base-Backbone interact. energy: 0.191
local terms energy: -141.867693
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -31.035
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: 352
Temperature: 0.950000
Total energy: -462.242088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.242088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.242088 (E_RNA)
where:
Base-Base interactions energy: -318.639
where: short stacking energy: -129.022
Base-Backbone interact. energy: -0.777
local terms energy: -142.826637
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -40.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -441.080457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.080457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.080457 (E_RNA)
where:
Base-Base interactions energy: -300.558
where: short stacking energy: -137.082
Base-Backbone interact. energy: -0.993
local terms energy: -139.529753
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -19.240
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: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -396.783779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.783779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.783779 (E_RNA)
where:
Base-Base interactions energy: -253.750
where: short stacking energy: -109.934
Base-Backbone interact. energy: 0.193
local terms energy: -143.226239
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -20.360
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: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -400.731901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.731901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.731901 (E_RNA)
where:
Base-Base interactions energy: -261.255
where: short stacking energy: -128.341
Base-Backbone interact. energy: -0.469
local terms energy: -139.007626
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -21.278
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: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -333.543179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.543179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.543179 (E_RNA)
where:
Base-Base interactions energy: -210.213
where: short stacking energy: -101.510
Base-Backbone interact. energy: -0.067
local terms energy: -123.263212
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -19.881
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: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -343.631231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.631231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.631231 (E_RNA)
where:
Base-Base interactions energy: -217.000
where: short stacking energy: -114.207
Base-Backbone interact. energy: -1.712
local terms energy: -124.919133
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -30.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -230.546188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.546188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.546188 (E_RNA)
where:
Base-Base interactions energy: -132.187
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.489
local terms energy: -97.869787
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -269.658067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.658067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.658067 (E_RNA)
where:
Base-Base interactions energy: -171.008
where: short stacking energy: -73.795
Base-Backbone interact. energy: 0.717
local terms energy: -99.366687
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -122.653887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.653887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.653887 (E_RNA)
where:
Base-Base interactions energy: -42.181
where: short stacking energy: -39.422
Base-Backbone interact. energy: -0.293
local terms energy: -80.180456
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: 1.392
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: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -454.778670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.778670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.778670 (E_RNA)
where:
Base-Base interactions energy: -315.547
where: short stacking energy: -127.705
Base-Backbone interact. energy: 0.032
local terms energy: -139.263067
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -30.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -472.674851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.674851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.674851 (E_RNA)
where:
Base-Base interactions energy: -321.848
where: short stacking energy: -149.431
Base-Backbone interact. energy: -0.733
local terms energy: -150.094114
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -44.421
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -444.624826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.624826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.624826 (E_RNA)
where:
Base-Base interactions energy: -306.248
where: short stacking energy: -123.953
Base-Backbone interact. energy: 1.077
local terms energy: -139.454569
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -39.289
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: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -414.047836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.047836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.047836 (E_RNA)
where:
Base-Base interactions energy: -263.025
where: short stacking energy: -123.836
Base-Backbone interact. energy: -0.419
local terms energy: -150.603937
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -40.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -374.085091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.085091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.085091 (E_RNA)
where:
Base-Base interactions energy: -233.200
where: short stacking energy: -107.822
Base-Backbone interact. energy: -0.043
local terms energy: -140.842765
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -35.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -335.415549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.415549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.415549 (E_RNA)
where:
Base-Base interactions energy: -217.755
where: short stacking energy: -112.360
Base-Backbone interact. energy: -0.355
local terms energy: -117.305803
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -29.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -312.452677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.452677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.452677 (E_RNA)
where:
Base-Base interactions energy: -206.201
where: short stacking energy: -76.795
Base-Backbone interact. energy: 0.908
local terms energy: -107.160119
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -271.356250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.356250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.356250 (E_RNA)
where:
Base-Base interactions energy: -163.199
where: short stacking energy: -85.119
Base-Backbone interact. energy: -0.311
local terms energy: -107.846178
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -237.842886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.842886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.842886 (E_RNA)
where:
Base-Base interactions energy: -136.180
where: short stacking energy: -77.205
Base-Backbone interact. energy: 0.533
local terms energy: -102.196282
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -126.599009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.599009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.599009 (E_RNA)
where:
Base-Base interactions energy: -46.611
where: short stacking energy: -32.928
Base-Backbone interact. energy: -0.838
local terms energy: -79.150398
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: 3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -478.357250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.357250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.357250 (E_RNA)
where:
Base-Base interactions energy: -326.749
where: short stacking energy: -148.658
Base-Backbone interact. energy: -0.665
local terms energy: -150.942898
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -45.499
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: 354
Temperature: 0.950000
Total energy: -451.557426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.557426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.557426 (E_RNA)
where:
Base-Base interactions energy: -312.554
where: short stacking energy: -136.606
Base-Backbone interact. energy: -0.546
local terms energy: -138.457677
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -32.195
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: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -423.441519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.441519 (E_RNA)
where:
Base-Base interactions energy: -276.822
where: short stacking energy: -130.830
Base-Backbone interact. energy: -0.093
local terms energy: -146.526486
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -36.127
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: 354
Temperature: 1.050000
Total energy: -438.359761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.359761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.359761 (E_RNA)
where:
Base-Base interactions energy: -292.624
where: short stacking energy: -128.092
Base-Backbone interact. energy: -0.252
local terms energy: -145.483683
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -36.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -392.837348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.837348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.837348 (E_RNA)
where:
Base-Base interactions energy: -269.611
where: short stacking energy: -123.399
Base-Backbone interact. energy: -0.147
local terms energy: -123.080070
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -347.466060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.466060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.466060 (E_RNA)
where:
Base-Base interactions energy: -212.421
where: short stacking energy: -113.404
Base-Backbone interact. energy: -0.102
local terms energy: -134.942999
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -322.774460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.774460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.774460 (E_RNA)
where:
Base-Base interactions energy: -210.370
where: short stacking energy: -92.214
Base-Backbone interact. energy: -0.776
local terms energy: -111.628725
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -26.266
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: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -258.658279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.658279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.658279 (E_RNA)
where:
Base-Base interactions energy: -153.233
where: short stacking energy: -74.554
Base-Backbone interact. energy: 0.264
local terms energy: -105.689995
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -29.828
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -240.056467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.056467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.056467 (E_RNA)
where:
Base-Base interactions energy: -133.397
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.585
local terms energy: -106.074482
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -148.766137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.766137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.766137 (E_RNA)
where:
Base-Base interactions energy: -57.038
where: short stacking energy: -39.593
Base-Backbone interact. energy: 3.124
local terms energy: -94.851722
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -477.095217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.095217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.095217 (E_RNA)
where:
Base-Base interactions energy: -317.402
where: short stacking energy: -143.078
Base-Backbone interact. energy: -0.907
local terms energy: -158.785677
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -20.555
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: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -457.023675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.023675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.023675 (E_RNA)
where:
Base-Base interactions energy: -321.516
where: short stacking energy: -133.995
Base-Backbone interact. energy: -2.464
local terms energy: -133.043296
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -31.267
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: 355
Temperature: 1.000000
Total energy: -451.566051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.566051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.566051 (E_RNA)
where:
Base-Base interactions energy: -298.505
where: short stacking energy: -140.391
Base-Backbone interact. energy: -0.027
local terms energy: -153.033963
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -42.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -402.018810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.018810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.018810 (E_RNA)
where:
Base-Base interactions energy: -259.874
where: short stacking energy: -129.748
Base-Backbone interact. energy: -0.750
local terms energy: -141.394669
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -34.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -429.741904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.741904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.741904 (E_RNA)
where:
Base-Base interactions energy: -298.226
where: short stacking energy: -128.386
Base-Backbone interact. energy: -0.641
local terms energy: -130.874941
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -36.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -302.495079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.495079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.495079 (E_RNA)
where:
Base-Base interactions energy: -189.129
where: short stacking energy: -90.230
Base-Backbone interact. energy: -0.986
local terms energy: -112.380163
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -324.528311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.528311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.528311 (E_RNA)
where:
Base-Base interactions energy: -204.169
where: short stacking energy: -93.536
Base-Backbone interact. energy: -0.314
local terms energy: -120.044680
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -262.822719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.822719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.822719 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -78.866
Base-Backbone interact. energy: -0.501
local terms energy: -109.629836
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -239.668029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.668029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.668029 (E_RNA)
where:
Base-Base interactions energy: -144.748
where: short stacking energy: -67.800
Base-Backbone interact. energy: 0.389
local terms energy: -95.308775
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -150.373718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.373718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.373718 (E_RNA)
where:
Base-Base interactions energy: -60.383
where: short stacking energy: -38.320
Base-Backbone interact. energy: -0.237
local terms energy: -89.752975
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -452.962948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.962948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.962948 (E_RNA)
where:
Base-Base interactions energy: -317.508
where: short stacking energy: -118.885
Base-Backbone interact. energy: -0.038
local terms energy: -135.417023
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -31.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -474.677592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.677592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.677592 (E_RNA)
where:
Base-Base interactions energy: -317.304
where: short stacking energy: -144.369
Base-Backbone interact. energy: -1.675
local terms energy: -155.697721
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -31.888
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -40.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -442.510411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.510411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.510411 (E_RNA)
where:
Base-Base interactions energy: -292.644
where: short stacking energy: -132.734
Base-Backbone interact. energy: -0.302
local terms energy: -149.564727
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -24.758
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: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -401.183929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.183929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.183929 (E_RNA)
where:
Base-Base interactions energy: -268.950
where: short stacking energy: -124.492
Base-Backbone interact. energy: -0.460
local terms energy: -131.773762
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -418.678482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.678482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.678482 (E_RNA)
where:
Base-Base interactions energy: -277.877
where: short stacking energy: -126.877
Base-Backbone interact. energy: -0.024
local terms energy: -140.777073
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -43.195
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: 356
Temperature: 1.150000
Total energy: -273.482435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.482435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.482435 (E_RNA)
where:
Base-Base interactions energy: -166.548
where: short stacking energy: -74.670
Base-Backbone interact. energy: -0.406
local terms energy: -106.527717
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -345.484211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.484211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.484211 (E_RNA)
where:
Base-Base interactions energy: -214.700
where: short stacking energy: -111.036
Base-Backbone interact. energy: -0.776
local terms energy: -130.008028
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -29.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -267.012502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.012502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.012502 (E_RNA)
where:
Base-Base interactions energy: -159.704
where: short stacking energy: -83.070
Base-Backbone interact. energy: -0.582
local terms energy: -106.726136
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -146.435081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.435081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.435081 (E_RNA)
where:
Base-Base interactions energy: -50.321
where: short stacking energy: -47.144
Base-Backbone interact. energy: 2.609
local terms energy: -98.723566
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -5.697
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: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -193.686858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.686858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.686858 (E_RNA)
where:
Base-Base interactions energy: -102.794
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.005
local terms energy: -90.888438
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: 2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -458.654094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.654094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.654094 (E_RNA)
where:
Base-Base interactions energy: -311.775
where: short stacking energy: -137.127
Base-Backbone interact. energy: -0.641
local terms energy: -146.237781
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -470.095026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.095026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.095026 (E_RNA)
where:
Base-Base interactions energy: -312.259
where: short stacking energy: -134.288
Base-Backbone interact. energy: -1.013
local terms energy: -156.822946
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -47.088
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -433.647915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.647915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.647915 (E_RNA)
where:
Base-Base interactions energy: -278.266
where: short stacking energy: -127.190
Base-Backbone interact. energy: 1.413
local terms energy: -156.794727
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -41.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -411.242696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.242696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.242696 (E_RNA)
where:
Base-Base interactions energy: -275.910
where: short stacking energy: -121.232
Base-Backbone interact. energy: -0.855
local terms energy: -134.477855
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -32.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -429.873052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.873052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.873052 (E_RNA)
where:
Base-Base interactions energy: -291.192
where: short stacking energy: -128.104
Base-Backbone interact. energy: -0.497
local terms energy: -138.183881
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -30.329
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -40.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -368.953694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.953694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.953694 (E_RNA)
where:
Base-Base interactions energy: -233.139
where: short stacking energy: -113.641
Base-Backbone interact. energy: -0.327
local terms energy: -135.488107
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -22.560
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: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -297.065362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.065362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.065362 (E_RNA)
where:
Base-Base interactions energy: -188.135
where: short stacking energy: -82.486
Base-Backbone interact. energy: -0.473
local terms energy: -108.457174
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -13.277
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: 357
Temperature: 1.250000
Total energy: -264.919234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.919234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.919234 (E_RNA)
where:
Base-Base interactions energy: -152.700
where: short stacking energy: -70.048
Base-Backbone interact. energy: -1.652
local terms energy: -110.566844
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -153.362178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.362178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.362178 (E_RNA)
where:
Base-Base interactions energy: -52.826
where: short stacking energy: -51.592
Base-Backbone interact. energy: -0.160
local terms energy: -100.375971
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -27.735
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -11.035
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: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -140.268469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.268469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.268469 (E_RNA)
where:
Base-Base interactions energy: -58.948
where: short stacking energy: -43.876
Base-Backbone interact. energy: 0.467
local terms energy: -81.787241
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: 1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -478.935961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.935961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.935961 (E_RNA)
where:
Base-Base interactions energy: -316.848
where: short stacking energy: -141.385
Base-Backbone interact. energy: -0.541
local terms energy: -161.547229
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -33.754
flat angles C4'-P-C4' energy: -31.524
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -466.914306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.914306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.914306 (E_RNA)
where:
Base-Base interactions energy: -315.113
where: short stacking energy: -129.145
Base-Backbone interact. energy: -0.317
local terms energy: -151.484943
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -35.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -428.290472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.290472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.290472 (E_RNA)
where:
Base-Base interactions energy: -296.234
where: short stacking energy: -134.881
Base-Backbone interact. energy: -0.719
local terms energy: -131.338167
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -41.807
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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -416.003429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.003429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.003429 (E_RNA)
where:
Base-Base interactions energy: -268.742
where: short stacking energy: -136.816
Base-Backbone interact. energy: -0.217
local terms energy: -147.043573
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -41.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -396.310962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.310962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.310962 (E_RNA)
where:
Base-Base interactions energy: -257.935
where: short stacking energy: -126.868
Base-Backbone interact. energy: -0.721
local terms energy: -137.654315
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -38.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -354.696836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.696836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.696836 (E_RNA)
where:
Base-Base interactions energy: -231.789
where: short stacking energy: -109.001
Base-Backbone interact. energy: -0.587
local terms energy: -122.320522
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -25.176
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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -269.717375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.717375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.717375 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -72.611
Base-Backbone interact. energy: 1.847
local terms energy: -113.076331
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -18.829
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: 358
Temperature: 1.250000
Total energy: -261.766375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.766375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.766375 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.478
local terms energy: -102.047294
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -137.110367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.110367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.110367 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -41.123
Base-Backbone interact. energy: -0.909
local terms energy: -89.074409
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -27.245
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: 3.156
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: 358
Temperature: 1.350000
Total energy: -127.798163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.798163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.798163 (E_RNA)
where:
Base-Base interactions energy: -36.722
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.116
local terms energy: -90.959816
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -470.604444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.604444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.604444 (E_RNA)
where:
Base-Base interactions energy: -313.229
where: short stacking energy: -133.417
Base-Backbone interact. energy: -0.190
local terms energy: -157.185788
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -44.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -457.152740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.152740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.152740 (E_RNA)
where:
Base-Base interactions energy: -309.258
where: short stacking energy: -126.225
Base-Backbone interact. energy: -0.119
local terms energy: -147.775909
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -31.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -425.505931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.505931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.505931 (E_RNA)
where:
Base-Base interactions energy: -274.601
where: short stacking energy: -135.205
Base-Backbone interact. energy: -0.145
local terms energy: -150.759502
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -45.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -410.722799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.722799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.722799 (E_RNA)
where:
Base-Base interactions energy: -268.211
where: short stacking energy: -126.980
Base-Backbone interact. energy: -0.778
local terms energy: -141.734346
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -35.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -404.642050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.642050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.642050 (E_RNA)
where:
Base-Base interactions energy: -256.512
where: short stacking energy: -133.351
Base-Backbone interact. energy: -0.510
local terms energy: -147.619661
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -21.270
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: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -354.838889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.838889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.838889 (E_RNA)
where:
Base-Base interactions energy: -227.292
where: short stacking energy: -111.559
Base-Backbone interact. energy: -0.317
local terms energy: -127.230356
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -29.580
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: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -228.844871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.844871 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -54.212
Base-Backbone interact. energy: -1.558
local terms energy: -84.537986
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -6.098
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: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -254.092068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.092068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.092068 (E_RNA)
where:
Base-Base interactions energy: -168.863
where: short stacking energy: -69.272
Base-Backbone interact. energy: 0.547
local terms energy: -85.775888
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -7.065
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: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -145.135037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.135037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.135037 (E_RNA)
where:
Base-Base interactions energy: -47.970
where: short stacking energy: -44.672
Base-Backbone interact. energy: -0.403
local terms energy: -96.762628
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -12.280
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: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -124.864193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.864193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.864193 (E_RNA)
where:
Base-Base interactions energy: -44.100
where: short stacking energy: -31.382
Base-Backbone interact. energy: -0.328
local terms energy: -80.435621
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: 3.757
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: 360
Temperature: 0.900000
Total energy: -466.777888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.777888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.777888 (E_RNA)
where:
Base-Base interactions energy: -314.042
where: short stacking energy: -142.587
Base-Backbone interact. energy: -0.739
local terms energy: -151.996157
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -43.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -455.347279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.347279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.347279 (E_RNA)
where:
Base-Base interactions energy: -320.180
where: short stacking energy: -132.196
Base-Backbone interact. energy: -0.739
local terms energy: -134.428597
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -36.057
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: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -422.833629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.833629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.833629 (E_RNA)
where:
Base-Base interactions energy: -272.839
where: short stacking energy: -143.377
Base-Backbone interact. energy: -0.613
local terms energy: -149.381128
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -44.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -416.253560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.253560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.253560 (E_RNA)
where:
Base-Base interactions energy: -283.624
where: short stacking energy: -127.099
Base-Backbone interact. energy: -0.178
local terms energy: -132.451652
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -18.565
tors. eta vs tors. theta energy: -38.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -347.420709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.420709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.420709 (E_RNA)
where:
Base-Base interactions energy: -227.215
where: short stacking energy: -111.828
Base-Backbone interact. energy: 0.098
local terms energy: -120.303692
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -32.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -377.298382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.298382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.298382 (E_RNA)
where:
Base-Base interactions energy: -247.681
where: short stacking energy: -108.354
Base-Backbone interact. energy: -0.695
local terms energy: -128.922123
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -288.215652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.215652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.215652 (E_RNA)
where:
Base-Base interactions energy: -176.274
where: short stacking energy: -88.088
Base-Backbone interact. energy: 1.155
local terms energy: -113.097394
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -28.260
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: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -278.462485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.462485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.462485 (E_RNA)
where:
Base-Base interactions energy: -174.368
where: short stacking energy: -77.766
Base-Backbone interact. energy: 0.201
local terms energy: -104.296043
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -15.938
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: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -147.607935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.607935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.607935 (E_RNA)
where:
Base-Base interactions energy: -64.171
where: short stacking energy: -40.427
Base-Backbone interact. energy: -1.083
local terms energy: -82.353874
where:
bonds (distance) C4'-P energy: -31.975
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: 8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -141.653396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.653396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.653396 (E_RNA)
where:
Base-Base interactions energy: -54.053
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.184
local terms energy: -87.416227
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -469.244565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.244565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.244565 (E_RNA)
where:
Base-Base interactions energy: -321.045
where: short stacking energy: -136.263
Base-Backbone interact. energy: -0.516
local terms energy: -147.682826
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -29.686
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -42.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -472.852122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.852122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.852122 (E_RNA)
where:
Base-Base interactions energy: -335.227
where: short stacking energy: -136.413
Base-Backbone interact. energy: 0.253
local terms energy: -137.877756
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -33.764
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -36.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -418.524682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.524682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.524682 (E_RNA)
where:
Base-Base interactions energy: -277.752
where: short stacking energy: -143.416
Base-Backbone interact. energy: -0.876
local terms energy: -139.897108
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -42.646
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: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -420.992342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.992342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.992342 (E_RNA)
where:
Base-Base interactions energy: -285.640
where: short stacking energy: -128.067
Base-Backbone interact. energy: -1.106
local terms energy: -134.245758
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -36.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -362.575251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.575251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.575251 (E_RNA)
where:
Base-Base interactions energy: -248.657
where: short stacking energy: -111.073
Base-Backbone interact. energy: -0.318
local terms energy: -113.600475
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -372.290166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.290166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.290166 (E_RNA)
where:
Base-Base interactions energy: -244.400
where: short stacking energy: -114.976
Base-Backbone interact. energy: -0.002
local terms energy: -127.887620
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -29.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -283.552885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552885 (E_RNA)
where:
Base-Base interactions energy: -178.138
where: short stacking energy: -81.837
Base-Backbone interact. energy: -1.460
local terms energy: -103.954861
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -261.180671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.180671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.180671 (E_RNA)
where:
Base-Base interactions energy: -170.480
where: short stacking energy: -67.503
Base-Backbone interact. energy: 1.504
local terms energy: -92.205021
where:
bonds (distance) C4'-P energy: -34.616
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -147.157191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.157191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.157191 (E_RNA)
where:
Base-Base interactions energy: -57.511
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.767
local terms energy: -88.879201
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: 6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -125.666068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.666068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.666068 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -38.595
Base-Backbone interact. energy: -0.357
local terms energy: -81.123755
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: 1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -498.645614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.645614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.645614 (E_RNA)
where:
Base-Base interactions energy: -334.273
where: short stacking energy: -140.823
Base-Backbone interact. energy: -0.241
local terms energy: -164.132241
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -40.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -466.867881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.867881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.867881 (E_RNA)
where:
Base-Base interactions energy: -315.429
where: short stacking energy: -134.839
Base-Backbone interact. energy: 0.057
local terms energy: -151.495819
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -29.640
flat angles C4'-P-C4' energy: -31.940
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -38.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -437.738941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.738941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.738941 (E_RNA)
where:
Base-Base interactions energy: -292.822
where: short stacking energy: -126.727
Base-Backbone interact. energy: -0.340
local terms energy: -144.577545
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -22.900
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: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -378.168026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.168026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.168026 (E_RNA)
where:
Base-Base interactions energy: -240.464
where: short stacking energy: -115.235
Base-Backbone interact. energy: -0.648
local terms energy: -137.056138
where:
bonds (distance) C4'-P energy: -27.159
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -32.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -370.116556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.116556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.116556 (E_RNA)
where:
Base-Base interactions energy: -236.008
where: short stacking energy: -122.162
Base-Backbone interact. energy: -0.169
local terms energy: -133.939516
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -35.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -361.414524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.414524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.414524 (E_RNA)
where:
Base-Base interactions energy: -241.716
where: short stacking energy: -108.318
Base-Backbone interact. energy: -0.408
local terms energy: -119.289906
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -26.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -262.551244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.551244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.551244 (E_RNA)
where:
Base-Base interactions energy: -155.309
where: short stacking energy: -68.977
Base-Backbone interact. energy: -0.589
local terms energy: -106.652370
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -216.118689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.118689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.118689 (E_RNA)
where:
Base-Base interactions energy: -116.443
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.481
local terms energy: -99.194559
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -9.959
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: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -141.816524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.816524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.816524 (E_RNA)
where:
Base-Base interactions energy: -55.851
where: short stacking energy: -45.293
Base-Backbone interact. energy: -0.600
local terms energy: -85.365968
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -130.957160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.957160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.957160 (E_RNA)
where:
Base-Base interactions energy: -44.494
where: short stacking energy: -36.666
Base-Backbone interact. energy: -0.828
local terms energy: -85.634823
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -484.370424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.370424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.370424 (E_RNA)
where:
Base-Base interactions energy: -338.948
where: short stacking energy: -136.781
Base-Backbone interact. energy: -0.200
local terms energy: -145.222280
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -14.389
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -465.775363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.775363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.775363 (E_RNA)
where:
Base-Base interactions energy: -319.451
where: short stacking energy: -131.920
Base-Backbone interact. energy: -0.410
local terms energy: -145.914228
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -34.544
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -38.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -456.280710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.280710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.280710 (E_RNA)
where:
Base-Base interactions energy: -322.688
where: short stacking energy: -139.066
Base-Backbone interact. energy: 6.292
local terms energy: -139.884195
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -41.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -376.891747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.891747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.891747 (E_RNA)
where:
Base-Base interactions energy: -249.811
where: short stacking energy: -118.764
Base-Backbone interact. energy: 0.536
local terms energy: -127.617441
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -27.885
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -376.235704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.235704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.235704 (E_RNA)
where:
Base-Base interactions energy: -239.990
where: short stacking energy: -121.035
Base-Backbone interact. energy: -0.077
local terms energy: -136.168754
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -30.634
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: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -369.882313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.882313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.882313 (E_RNA)
where:
Base-Base interactions energy: -233.460
where: short stacking energy: -109.116
Base-Backbone interact. energy: -0.282
local terms energy: -136.139925
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -32.892
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: 363
Temperature: 1.200000
Total energy: -274.831479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.831479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.831479 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -87.782
Base-Backbone interact. energy: -0.163
local terms energy: -116.977766
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -187.869759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.869759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.869759 (E_RNA)
where:
Base-Base interactions energy: -91.210
where: short stacking energy: -41.302
Base-Backbone interact. energy: -0.083
local terms energy: -96.576960
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -204.826766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.826766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.826766 (E_RNA)
where:
Base-Base interactions energy: -117.185
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.359
local terms energy: -87.282650
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -3.199
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: 363
Temperature: 1.350000
Total energy: -157.466024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.466024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.466024 (E_RNA)
where:
Base-Base interactions energy: -69.584
where: short stacking energy: -41.764
Base-Backbone interact. energy: 0.937
local terms energy: -88.819083
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -5.915
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: 364
Temperature: 0.900000
Total energy: -482.921603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.921603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.921603 (E_RNA)
where:
Base-Base interactions energy: -335.014
where: short stacking energy: -138.184
Base-Backbone interact. energy: -1.818
local terms energy: -146.089370
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -31.947
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -40.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -448.776898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.776898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.776898 (E_RNA)
where:
Base-Base interactions energy: -320.752
where: short stacking energy: -134.933
Base-Backbone interact. energy: -0.788
local terms energy: -127.236350
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -37.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -456.333855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.333855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.333855 (E_RNA)
where:
Base-Base interactions energy: -305.020
where: short stacking energy: -119.947
Base-Backbone interact. energy: -1.829
local terms energy: -149.485743
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -36.907
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: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -396.435885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.435885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.435885 (E_RNA)
where:
Base-Base interactions energy: -253.205
where: short stacking energy: -126.874
Base-Backbone interact. energy: -0.135
local terms energy: -143.095836
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -35.250
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: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -388.351196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.351196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.351196 (E_RNA)
where:
Base-Base interactions energy: -250.037
where: short stacking energy: -127.098
Base-Backbone interact. energy: -0.349
local terms energy: -137.965786
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -37.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -380.541301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.541301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.541301 (E_RNA)
where:
Base-Base interactions energy: -242.524
where: short stacking energy: -113.997
Base-Backbone interact. energy: 0.290
local terms energy: -138.307788
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -293.657297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.657297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.657297 (E_RNA)
where:
Base-Base interactions energy: -196.465
where: short stacking energy: -87.880
Base-Backbone interact. energy: -0.758
local terms energy: -96.433619
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -18.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -164.468060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.468060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.468060 (E_RNA)
where:
Base-Base interactions energy: -80.366
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.648
local terms energy: -83.453990
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -223.951247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.951247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.951247 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.705
local terms energy: -92.881917
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -128.714583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.714583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.714583 (E_RNA)
where:
Base-Base interactions energy: -61.143
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.921
local terms energy: -66.650098
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: 3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -474.235274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.235274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.235274 (E_RNA)
where:
Base-Base interactions energy: -332.004
where: short stacking energy: -130.612
Base-Backbone interact. energy: -0.130
local terms energy: -142.101436
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -37.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -470.062330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.062330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.062330 (E_RNA)
where:
Base-Base interactions energy: -315.590
where: short stacking energy: -142.950
Base-Backbone interact. energy: -1.387
local terms energy: -153.085797
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -41.009
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: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -445.745016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.745016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.745016 (E_RNA)
where:
Base-Base interactions energy: -305.684
where: short stacking energy: -126.879
Base-Backbone interact. energy: -1.302
local terms energy: -138.758522
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -28.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -409.449628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.449628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.449628 (E_RNA)
where:
Base-Base interactions energy: -260.526
where: short stacking energy: -128.866
Base-Backbone interact. energy: -0.026
local terms energy: -148.897627
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -30.312
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -38.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -399.035654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.035654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.035654 (E_RNA)
where:
Base-Base interactions energy: -261.528
where: short stacking energy: -126.429
Base-Backbone interact. energy: -0.536
local terms energy: -136.971766
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -31.731
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -35.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -361.680443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.680443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.680443 (E_RNA)
where:
Base-Base interactions energy: -228.387
where: short stacking energy: -113.265
Base-Backbone interact. energy: -0.274
local terms energy: -133.018797
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -18.467
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: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -264.619518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.619518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.619518 (E_RNA)
where:
Base-Base interactions energy: -157.549
where: short stacking energy: -77.762
Base-Backbone interact. energy: -0.338
local terms energy: -106.731922
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -269.592184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.592184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.592184 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -69.932
Base-Backbone interact. energy: 2.676
local terms energy: -112.313412
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -151.975381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.975381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.975381 (E_RNA)
where:
Base-Base interactions energy: -53.883
where: short stacking energy: -49.273
Base-Backbone interact. energy: 1.422
local terms energy: -99.513629
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -137.623597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.623597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.623597 (E_RNA)
where:
Base-Base interactions energy: -37.778
where: short stacking energy: -33.418
Base-Backbone interact. energy: 0.111
local terms energy: -99.957170
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -3.538
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: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -485.427118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.427118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.427118 (E_RNA)
where:
Base-Base interactions energy: -331.099
where: short stacking energy: -139.142
Base-Backbone interact. energy: -1.428
local terms energy: -152.900724
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -20.232
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: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -474.582396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.582396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.582396 (E_RNA)
where:
Base-Base interactions energy: -321.628
where: short stacking energy: -131.285
Base-Backbone interact. energy: -1.115
local terms energy: -151.839415
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -42.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -442.498015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.498015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.498015 (E_RNA)
where:
Base-Base interactions energy: -298.538
where: short stacking energy: -124.785
Base-Backbone interact. energy: -0.859
local terms energy: -143.101483
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -32.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -396.877657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.877657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.877657 (E_RNA)
where:
Base-Base interactions energy: -248.518
where: short stacking energy: -126.375
Base-Backbone interact. energy: -0.668
local terms energy: -147.690888
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -40.510
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: 366
Temperature: 1.100000
Total energy: -391.946522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.946522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.946522 (E_RNA)
where:
Base-Base interactions energy: -256.186
where: short stacking energy: -126.720
Base-Backbone interact. energy: -0.925
local terms energy: -134.836033
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -34.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -377.221556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.221556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.221556 (E_RNA)
where:
Base-Base interactions energy: -242.239
where: short stacking energy: -120.110
Base-Backbone interact. energy: -0.290
local terms energy: -134.692228
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -33.097
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: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -257.467042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.467042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.467042 (E_RNA)
where:
Base-Base interactions energy: -161.381
where: short stacking energy: -87.288
Base-Backbone interact. energy: -0.625
local terms energy: -95.461476
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -256.191789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.191789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.191789 (E_RNA)
where:
Base-Base interactions energy: -148.791
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.268
local terms energy: -107.132465
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -147.746541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.746541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.746541 (E_RNA)
where:
Base-Base interactions energy: -59.234
where: short stacking energy: -50.187
Base-Backbone interact. energy: -0.863
local terms energy: -87.649208
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -14.569
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: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -144.134975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.134975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.134975 (E_RNA)
where:
Base-Base interactions energy: -52.773
where: short stacking energy: -39.211
Base-Backbone interact. energy: 0.678
local terms energy: -92.039908
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -483.228713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.228713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.228713 (E_RNA)
where:
Base-Base interactions energy: -333.462
where: short stacking energy: -139.969
Base-Backbone interact. energy: -0.998
local terms energy: -148.768891
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -37.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -463.912580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.912580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.912580 (E_RNA)
where:
Base-Base interactions energy: -308.880
where: short stacking energy: -144.358
Base-Backbone interact. energy: -0.949
local terms energy: -154.083798
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -43.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -444.770548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.770548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.770548 (E_RNA)
where:
Base-Base interactions energy: -293.827
where: short stacking energy: -133.251
Base-Backbone interact. energy: -0.083
local terms energy: -150.860697
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -41.263
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: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -392.230582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.230582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.230582 (E_RNA)
where:
Base-Base interactions energy: -244.771
where: short stacking energy: -124.551
Base-Backbone interact. energy: -0.671
local terms energy: -146.788641
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -36.553
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: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -399.326744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.326744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.326744 (E_RNA)
where:
Base-Base interactions energy: -258.954
where: short stacking energy: -129.130
Base-Backbone interact. energy: -0.031
local terms energy: -140.342252
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -363.444553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.444553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.444553 (E_RNA)
where:
Base-Base interactions energy: -238.751
where: short stacking energy: -120.214
Base-Backbone interact. energy: -0.050
local terms energy: -124.643682
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -283.335457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.335457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.335457 (E_RNA)
where:
Base-Base interactions energy: -167.804
where: short stacking energy: -88.868
Base-Backbone interact. energy: -1.045
local terms energy: -114.486906
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -23.230
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: 367
Temperature: 1.250000
Total energy: -266.051700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.051700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.051700 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -71.998
Base-Backbone interact. energy: -0.456
local terms energy: -116.425670
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -139.485393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.485393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.485393 (E_RNA)
where:
Base-Base interactions energy: -48.287
where: short stacking energy: -37.384
Base-Backbone interact. energy: -1.220
local terms energy: -89.978626
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: 3.766
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: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -133.891107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.891107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.891107 (E_RNA)
where:
Base-Base interactions energy: -42.029
where: short stacking energy: -38.379
Base-Backbone interact. energy: -0.251
local terms energy: -91.610602
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: 5.228
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: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -479.328086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.328086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.328086 (E_RNA)
where:
Base-Base interactions energy: -333.557
where: short stacking energy: -131.755
Base-Backbone interact. energy: -0.993
local terms energy: -144.778772
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -39.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -470.661154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.661154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.661154 (E_RNA)
where:
Base-Base interactions energy: -327.741
where: short stacking energy: -132.997
Base-Backbone interact. energy: 1.164
local terms energy: -144.084093
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -43.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -433.884031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.884031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.884031 (E_RNA)
where:
Base-Base interactions energy: -294.754
where: short stacking energy: -132.012
Base-Backbone interact. energy: -0.261
local terms energy: -138.869672
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -37.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -391.574116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.574116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.574116 (E_RNA)
where:
Base-Base interactions energy: -245.847
where: short stacking energy: -120.068
Base-Backbone interact. energy: -0.056
local terms energy: -145.670310
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -34.803
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: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -377.436699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.436699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.436699 (E_RNA)
where:
Base-Base interactions energy: -244.353
where: short stacking energy: -111.214
Base-Backbone interact. energy: -0.012
local terms energy: -133.071624
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -31.467
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: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -382.231044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.231044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.231044 (E_RNA)
where:
Base-Base interactions energy: -246.612
where: short stacking energy: -116.384
Base-Backbone interact. energy: -0.507
local terms energy: -135.112632
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: -39.897
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -298.376225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.376225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.376225 (E_RNA)
where:
Base-Base interactions energy: -185.849
where: short stacking energy: -101.963
Base-Backbone interact. energy: -1.505
local terms energy: -111.022406
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -22.592
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: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -260.893520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.893520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.893520 (E_RNA)
where:
Base-Base interactions energy: -163.895
where: short stacking energy: -88.577
Base-Backbone interact. energy: -0.061
local terms energy: -96.936948
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -167.063657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.063657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.063657 (E_RNA)
where:
Base-Base interactions energy: -80.902
where: short stacking energy: -52.127
Base-Backbone interact. energy: -0.764
local terms energy: -85.397880
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -141.985171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.985171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.985171 (E_RNA)
where:
Base-Base interactions energy: -60.880
where: short stacking energy: -49.362
Base-Backbone interact. energy: -0.622
local terms energy: -80.482814
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -30.351
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -482.684612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.684612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.684612 (E_RNA)
where:
Base-Base interactions energy: -332.844
where: short stacking energy: -136.053
Base-Backbone interact. energy: -0.805
local terms energy: -149.035545
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -34.087
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -37.765
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: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -472.069295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.069295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.069295 (E_RNA)
where:
Base-Base interactions energy: -315.546
where: short stacking energy: -146.127
Base-Backbone interact. energy: -0.124
local terms energy: -156.399483
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -29.756
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -42.718
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: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -451.264711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.264711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.264711 (E_RNA)
where:
Base-Base interactions energy: -303.684
where: short stacking energy: -131.035
Base-Backbone interact. energy: -0.118
local terms energy: -147.462917
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -45.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -386.056714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.056714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.056714 (E_RNA)
where:
Base-Base interactions energy: -256.597
where: short stacking energy: -128.369
Base-Backbone interact. energy: -0.033
local terms energy: -129.426779
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -30.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -378.283888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.283888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.283888 (E_RNA)
where:
Base-Base interactions energy: -245.674
where: short stacking energy: -114.910
Base-Backbone interact. energy: -0.413
local terms energy: -132.196013
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -364.350464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.350464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.350464 (E_RNA)
where:
Base-Base interactions energy: -237.020
where: short stacking energy: -126.880
Base-Backbone interact. energy: -0.015
local terms energy: -127.315411
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -31.806
flat angles P-C4'-P energy: -16.608
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: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -280.046864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.046864 (E_RNA)
where:
Base-Base interactions energy: -174.170
where: short stacking energy: -92.063
Base-Backbone interact. energy: -0.063
local terms energy: -105.814341
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -267.254507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.254507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.254507 (E_RNA)
where:
Base-Base interactions energy: -157.505
where: short stacking energy: -70.957
Base-Backbone interact. energy: 0.502
local terms energy: -110.251542
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -18.320
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: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -182.948769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.948769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.948769 (E_RNA)
where:
Base-Base interactions energy: -87.949
where: short stacking energy: -60.570
Base-Backbone interact. energy: -0.245
local terms energy: -94.754742
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -132.693627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.693627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.693627 (E_RNA)
where:
Base-Base interactions energy: -42.796
where: short stacking energy: -38.333
Base-Backbone interact. energy: -1.423
local terms energy: -88.474637
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -482.791105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.791105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.791105 (E_RNA)
where:
Base-Base interactions energy: -330.459
where: short stacking energy: -146.466
Base-Backbone interact. energy: -1.222
local terms energy: -151.110430
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -43.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -482.907003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.907003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.907003 (E_RNA)
where:
Base-Base interactions energy: -331.756
where: short stacking energy: -134.091
Base-Backbone interact. energy: -0.283
local terms energy: -150.867636
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -19.068
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: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -455.034717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.034717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.034717 (E_RNA)
where:
Base-Base interactions energy: -309.412
where: short stacking energy: -127.120
Base-Backbone interact. energy: -0.222
local terms energy: -145.401312
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -35.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -403.866050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.866050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.866050 (E_RNA)
where:
Base-Base interactions energy: -258.467
where: short stacking energy: -125.612
Base-Backbone interact. energy: -1.015
local terms energy: -144.383760
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -28.184
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -22.779
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: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -382.540391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.540391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.540391 (E_RNA)
where:
Base-Base interactions energy: -248.003
where: short stacking energy: -117.731
Base-Backbone interact. energy: -0.175
local terms energy: -134.361860
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -29.958
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -34.115
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: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -352.499209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.499209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.499209 (E_RNA)
where:
Base-Base interactions energy: -234.536
where: short stacking energy: -103.663
Base-Backbone interact. energy: -0.607
local terms energy: -117.355983
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -23.731
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: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -268.618642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.618642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.618642 (E_RNA)
where:
Base-Base interactions energy: -162.855
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.623
local terms energy: -105.140660
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -245.130353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.130353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.130353 (E_RNA)
where:
Base-Base interactions energy: -153.453
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.226
local terms energy: -91.451212
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -151.922005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.922005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.922005 (E_RNA)
where:
Base-Base interactions energy: -61.557
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.448
local terms energy: -89.917042
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: 3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -129.104874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.104874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.104874 (E_RNA)
where:
Base-Base interactions energy: -41.517
where: short stacking energy: -40.267
Base-Backbone interact. energy: 0.284
local terms energy: -87.871957
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -30.105
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: 3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -473.328861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.328861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.328861 (E_RNA)
where:
Base-Base interactions energy: -326.828
where: short stacking energy: -143.886
Base-Backbone interact. energy: -1.072
local terms energy: -145.429168
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -41.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -479.891077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.891077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.891077 (E_RNA)
where:
Base-Base interactions energy: -327.326
where: short stacking energy: -137.806
Base-Backbone interact. energy: -0.630
local terms energy: -151.935065
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -38.661
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: 371
Temperature: 1.000000
Total energy: -443.482383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.482383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.482383 (E_RNA)
where:
Base-Base interactions energy: -303.899
where: short stacking energy: -124.618
Base-Backbone interact. energy: -1.019
local terms energy: -138.564914
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -38.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -382.383363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.383363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.383363 (E_RNA)
where:
Base-Base interactions energy: -249.984
where: short stacking energy: -115.646
Base-Backbone interact. energy: -0.166
local terms energy: -132.233898
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -34.990
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: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -372.897401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.897401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.897401 (E_RNA)
where:
Base-Base interactions energy: -227.214
where: short stacking energy: -116.074
Base-Backbone interact. energy: -1.473
local terms energy: -144.210690
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -34.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -361.960535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.960535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.960535 (E_RNA)
where:
Base-Base interactions energy: -246.282
where: short stacking energy: -115.802
Base-Backbone interact. energy: 2.155
local terms energy: -117.833509
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -28.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -277.070668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.070668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.070668 (E_RNA)
where:
Base-Base interactions energy: -171.920
where: short stacking energy: -71.849
Base-Backbone interact. energy: -0.887
local terms energy: -104.263495
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -241.372686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.372686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.372686 (E_RNA)
where:
Base-Base interactions energy: -145.760
where: short stacking energy: -77.224
Base-Backbone interact. energy: -0.434
local terms energy: -95.178828
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -184.106761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.106761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.106761 (E_RNA)
where:
Base-Base interactions energy: -95.214
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.314
local terms energy: -88.578523
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -8.940
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: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -150.289215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.289215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.289215 (E_RNA)
where:
Base-Base interactions energy: -74.528
where: short stacking energy: -42.307
Base-Backbone interact. energy: 0.861
local terms energy: -76.622505
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: 2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -471.989459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.989459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.989459 (E_RNA)
where:
Base-Base interactions energy: -329.271
where: short stacking energy: -143.229
Base-Backbone interact. energy: -0.456
local terms energy: -142.262396
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -29.433
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -42.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -478.728374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.728374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.728374 (E_RNA)
where:
Base-Base interactions energy: -333.797
where: short stacking energy: -135.715
Base-Backbone interact. energy: -0.437
local terms energy: -144.494301
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -43.421
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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -431.414740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.414740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.414740 (E_RNA)
where:
Base-Base interactions energy: -290.463
where: short stacking energy: -121.185
Base-Backbone interact. energy: -0.126
local terms energy: -140.825668
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -18.476
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: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -388.999923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.999923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.999923 (E_RNA)
where:
Base-Base interactions energy: -259.759
where: short stacking energy: -106.917
Base-Backbone interact. energy: 0.452
local terms energy: -129.693399
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -33.979
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -376.113243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.113243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.113243 (E_RNA)
where:
Base-Base interactions energy: -247.926
where: short stacking energy: -118.860
Base-Backbone interact. energy: -0.424
local terms energy: -127.763257
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -29.575
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: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -349.904264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.904264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.904264 (E_RNA)
where:
Base-Base interactions energy: -222.795
where: short stacking energy: -109.635
Base-Backbone interact. energy: -0.057
local terms energy: -127.051861
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -28.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -288.197170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.197170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.197170 (E_RNA)
where:
Base-Base interactions energy: -177.999
where: short stacking energy: -85.740
Base-Backbone interact. energy: -0.814
local terms energy: -109.384394
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -22.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -252.377049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.377049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.377049 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -83.112
Base-Backbone interact. energy: 1.224
local terms energy: -110.966141
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -151.403562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.403562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.403562 (E_RNA)
where:
Base-Base interactions energy: -61.587
where: short stacking energy: -34.572
Base-Backbone interact. energy: -0.393
local terms energy: -89.424070
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: 3.757
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: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -128.245457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.245457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.245457 (E_RNA)
where:
Base-Base interactions energy: -53.017
where: short stacking energy: -35.864
Base-Backbone interact. energy: 0.007
local terms energy: -75.235935
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: 7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -478.483907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.483907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.483907 (E_RNA)
where:
Base-Base interactions energy: -322.859
where: short stacking energy: -142.783
Base-Backbone interact. energy: -0.245
local terms energy: -155.379539
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -33.891
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -15.993
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: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -479.325507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.325507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.325507 (E_RNA)
where:
Base-Base interactions energy: -321.700
where: short stacking energy: -127.323
Base-Backbone interact. energy: -0.450
local terms energy: -157.175384
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -23.541
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: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -444.129412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.129412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.129412 (E_RNA)
where:
Base-Base interactions energy: -304.670
where: short stacking energy: -124.356
Base-Backbone interact. energy: -0.468
local terms energy: -138.991435
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -37.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -389.756105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.756105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.756105 (E_RNA)
where:
Base-Base interactions energy: -256.123
where: short stacking energy: -121.631
Base-Backbone interact. energy: -1.343
local terms energy: -132.290246
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -32.043
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -21.836
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: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -390.465842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.465842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.465842 (E_RNA)
where:
Base-Base interactions energy: -257.654
where: short stacking energy: -113.561
Base-Backbone interact. energy: -0.084
local terms energy: -132.727068
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -36.460
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -28.891
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: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -345.289313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.289313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.289313 (E_RNA)
where:
Base-Base interactions energy: -215.379
where: short stacking energy: -103.226
Base-Backbone interact. energy: -0.118
local terms energy: -129.791666
where:
bonds (distance) C4'-P energy: -32.584
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -269.619791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.619791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.619791 (E_RNA)
where:
Base-Base interactions energy: -161.117
where: short stacking energy: -83.726
Base-Backbone interact. energy: -1.347
local terms energy: -107.155864
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -18.024
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: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -255.790351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.790351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.790351 (E_RNA)
where:
Base-Base interactions energy: -155.644
where: short stacking energy: -82.622
Base-Backbone interact. energy: -0.349
local terms energy: -99.797275
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -12.834
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: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -137.775420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.775420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.775420 (E_RNA)
where:
Base-Base interactions energy: -50.166
where: short stacking energy: -42.791
Base-Backbone interact. energy: 1.499
local terms energy: -89.108053
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -137.685137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.685137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.685137 (E_RNA)
where:
Base-Base interactions energy: -45.535
where: short stacking energy: -22.985
Base-Backbone interact. energy: 1.603
local terms energy: -93.753916
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -476.499788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.499788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.499788 (E_RNA)
where:
Base-Base interactions energy: -327.138
where: short stacking energy: -147.926
Base-Backbone interact. energy: -0.875
local terms energy: -148.487081
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -465.322494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.322494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.322494 (E_RNA)
where:
Base-Base interactions energy: -317.102
where: short stacking energy: -126.112
Base-Backbone interact. energy: -0.619
local terms energy: -147.601676
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -37.750
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: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -458.490378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.490378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.490378 (E_RNA)
where:
Base-Base interactions energy: -318.912
where: short stacking energy: -132.682
Base-Backbone interact. energy: -0.023
local terms energy: -139.555306
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -39.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -403.206181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.206181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.206181 (E_RNA)
where:
Base-Base interactions energy: -274.968
where: short stacking energy: -124.383
Base-Backbone interact. energy: -0.598
local terms energy: -127.640442
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -32.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -366.519335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.519335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.519335 (E_RNA)
where:
Base-Base interactions energy: -232.250
where: short stacking energy: -113.052
Base-Backbone interact. energy: -0.411
local terms energy: -133.858292
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -366.075947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.075947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.075947 (E_RNA)
where:
Base-Base interactions energy: -243.518
where: short stacking energy: -115.087
Base-Backbone interact. energy: -0.641
local terms energy: -121.916937
where:
bonds (distance) C4'-P energy: -29.056
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -33.421
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: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -275.524328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.524328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.524328 (E_RNA)
where:
Base-Base interactions energy: -166.212
where: short stacking energy: -85.788
Base-Backbone interact. energy: -0.993
local terms energy: -108.319173
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -246.527204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.527204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.527204 (E_RNA)
where:
Base-Base interactions energy: -155.056
where: short stacking energy: -80.806
Base-Backbone interact. energy: -0.292
local terms energy: -91.179401
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -135.197978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.197978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.197978 (E_RNA)
where:
Base-Base interactions energy: -53.249
where: short stacking energy: -35.689
Base-Backbone interact. energy: 0.348
local terms energy: -82.296778
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: 9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -125.512640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.512640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.512640 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.518
local terms energy: -82.007981
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -480.518076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.518076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.518076 (E_RNA)
where:
Base-Base interactions energy: -323.383
where: short stacking energy: -147.735
Base-Backbone interact. energy: 0.277
local terms energy: -157.411424
where:
bonds (distance) C4'-P energy: -30.712
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -41.572
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: 375
Temperature: 0.950000
Total energy: -462.218465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.218465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.218465 (E_RNA)
where:
Base-Base interactions energy: -306.719
where: short stacking energy: -132.748
Base-Backbone interact. energy: -0.120
local terms energy: -155.379556
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -44.039
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: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -462.644930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.644930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.644930 (E_RNA)
where:
Base-Base interactions energy: -320.920
where: short stacking energy: -130.285
Base-Backbone interact. energy: -0.048
local terms energy: -141.676673
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -15.443
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: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -354.647367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.647367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.647367 (E_RNA)
where:
Base-Base interactions energy: -226.884
where: short stacking energy: -108.760
Base-Backbone interact. energy: -0.217
local terms energy: -127.546464
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -28.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -382.763474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.763474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.763474 (E_RNA)
where:
Base-Base interactions energy: -243.328
where: short stacking energy: -117.939
Base-Backbone interact. energy: -0.165
local terms energy: -139.270037
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -31.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -365.739832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.739832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.739832 (E_RNA)
where:
Base-Base interactions energy: -236.295
where: short stacking energy: -102.971
Base-Backbone interact. energy: -0.094
local terms energy: -129.350761
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -266.321713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.321713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.321713 (E_RNA)
where:
Base-Base interactions energy: -158.665
where: short stacking energy: -72.291
Base-Backbone interact. energy: -0.397
local terms energy: -107.260597
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -252.663244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.663244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.663244 (E_RNA)
where:
Base-Base interactions energy: -144.498
where: short stacking energy: -75.805
Base-Backbone interact. energy: -0.889
local terms energy: -107.276718
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -140.932566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.932566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.932566 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -40.868
Base-Backbone interact. energy: -0.791
local terms energy: -90.375619
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -0.961
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: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -138.517158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.517158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.517158 (E_RNA)
where:
Base-Base interactions energy: -50.713
where: short stacking energy: -45.108
Base-Backbone interact. energy: -0.628
local terms energy: -87.175607
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -463.552236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.552236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.552236 (E_RNA)
where:
Base-Base interactions energy: -310.150
where: short stacking energy: -135.392
Base-Backbone interact. energy: -0.696
local terms energy: -152.705660
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -45.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -459.989890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.989890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.989890 (E_RNA)
where:
Base-Base interactions energy: -306.946
where: short stacking energy: -130.164
Base-Backbone interact. energy: -0.670
local terms energy: -152.374234
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -38.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -449.703854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.703854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.703854 (E_RNA)
where:
Base-Base interactions energy: -307.933
where: short stacking energy: -126.541
Base-Backbone interact. energy: -1.364
local terms energy: -140.407160
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -40.944
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: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -375.305292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.305292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.305292 (E_RNA)
where:
Base-Base interactions energy: -240.785
where: short stacking energy: -134.396
Base-Backbone interact. energy: -0.041
local terms energy: -134.478928
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -36.304
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: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -407.993823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.993823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.993823 (E_RNA)
where:
Base-Base interactions energy: -271.806
where: short stacking energy: -127.944
Base-Backbone interact. energy: -0.038
local terms energy: -136.149985
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -35.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -377.484937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.484937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.484937 (E_RNA)
where:
Base-Base interactions energy: -251.758
where: short stacking energy: -107.730
Base-Backbone interact. energy: -1.341
local terms energy: -124.385613
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -29.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -255.465789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.465789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.465789 (E_RNA)
where:
Base-Base interactions energy: -150.207
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.892
local terms energy: -104.366904
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -246.779419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.779419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.779419 (E_RNA)
where:
Base-Base interactions energy: -154.168
where: short stacking energy: -62.001
Base-Backbone interact. energy: -1.138
local terms energy: -91.473708
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -146.742715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.742715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.742715 (E_RNA)
where:
Base-Base interactions energy: -51.510
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.189
local terms energy: -95.043263
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -132.868203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.868203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.868203 (E_RNA)
where:
Base-Base interactions energy: -54.289
where: short stacking energy: -44.163
Base-Backbone interact. energy: -0.295
local terms energy: -78.283870
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -2.178
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: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -466.770914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.770914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.770914 (E_RNA)
where:
Base-Base interactions energy: -316.161
where: short stacking energy: -142.931
Base-Backbone interact. energy: -0.170
local terms energy: -150.439999
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -47.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -473.280676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.280676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.280676 (E_RNA)
where:
Base-Base interactions energy: -322.719
where: short stacking energy: -142.872
Base-Backbone interact. energy: -0.625
local terms energy: -149.936820
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -40.965
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: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -462.380815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.380815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.380815 (E_RNA)
where:
Base-Base interactions energy: -323.502
where: short stacking energy: -131.460
Base-Backbone interact. energy: 0.364
local terms energy: -139.242994
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -21.271
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: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -415.378663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.378663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.378663 (E_RNA)
where:
Base-Base interactions energy: -276.763
where: short stacking energy: -133.405
Base-Backbone interact. energy: -0.752
local terms energy: -137.864095
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -39.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -354.193511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.193511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.193511 (E_RNA)
where:
Base-Base interactions energy: -221.271
where: short stacking energy: -123.440
Base-Backbone interact. energy: 1.846
local terms energy: -134.768571
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -33.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -378.177133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.177133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.177133 (E_RNA)
where:
Base-Base interactions energy: -249.734
where: short stacking energy: -122.722
Base-Backbone interact. energy: -0.210
local terms energy: -128.233489
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -35.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -287.315125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.315125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.315125 (E_RNA)
where:
Base-Base interactions energy: -179.638
where: short stacking energy: -70.574
Base-Backbone interact. energy: 0.270
local terms energy: -107.946694
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -15.742
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: 377
Temperature: 1.250000
Total energy: -245.734130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.734130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.734130 (E_RNA)
where:
Base-Base interactions energy: -145.918
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.120
local terms energy: -99.696149
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -142.498823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.498823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.498823 (E_RNA)
where:
Base-Base interactions energy: -46.470
where: short stacking energy: -45.759
Base-Backbone interact. energy: 0.291
local terms energy: -96.319243
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -142.251780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.251780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.251780 (E_RNA)
where:
Base-Base interactions energy: -51.648
where: short stacking energy: -49.025
Base-Backbone interact. energy: -1.172
local terms energy: -89.431983
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -474.401502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.401502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.401502 (E_RNA)
where:
Base-Base interactions energy: -325.308
where: short stacking energy: -141.088
Base-Backbone interact. energy: -1.040
local terms energy: -148.053472
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -444.947348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.947348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.947348 (E_RNA)
where:
Base-Base interactions energy: -295.535
where: short stacking energy: -123.840
Base-Backbone interact. energy: -0.133
local terms energy: -149.279555
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -39.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -442.959606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.959606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.959606 (E_RNA)
where:
Base-Base interactions energy: -303.535
where: short stacking energy: -134.634
Base-Backbone interact. energy: -0.746
local terms energy: -138.677701
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -423.023637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.023637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.023637 (E_RNA)
where:
Base-Base interactions energy: -275.677
where: short stacking energy: -131.782
Base-Backbone interact. energy: -0.156
local terms energy: -147.191237
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -40.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -395.059641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.059641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.059641 (E_RNA)
where:
Base-Base interactions energy: -262.840
where: short stacking energy: -123.373
Base-Backbone interact. energy: 2.186
local terms energy: -134.405313
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -34.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -336.487370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.487370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.487370 (E_RNA)
where:
Base-Base interactions energy: -200.360
where: short stacking energy: -104.490
Base-Backbone interact. energy: -0.255
local terms energy: -135.872055
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -26.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -263.873564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.873564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.873564 (E_RNA)
where:
Base-Base interactions energy: -157.759
where: short stacking energy: -76.760
Base-Backbone interact. energy: -0.140
local terms energy: -105.973913
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -267.941658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.941658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.941658 (E_RNA)
where:
Base-Base interactions energy: -167.983
where: short stacking energy: -88.252
Base-Backbone interact. energy: 1.466
local terms energy: -101.424525
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -152.881770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.881770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.881770 (E_RNA)
where:
Base-Base interactions energy: -66.850
where: short stacking energy: -36.695
Base-Backbone interact. energy: 1.110
local terms energy: -87.141179
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: 2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -153.811696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.811696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.811696 (E_RNA)
where:
Base-Base interactions energy: -71.806
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.024
local terms energy: -81.980873
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: 3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -467.521934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.521934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.521934 (E_RNA)
where:
Base-Base interactions energy: -323.973
where: short stacking energy: -139.610
Base-Backbone interact. energy: -0.426
local terms energy: -143.122478
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -15.200
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: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -435.974556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.974556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.974556 (E_RNA)
where:
Base-Base interactions energy: -293.323
where: short stacking energy: -129.073
Base-Backbone interact. energy: -1.404
local terms energy: -141.247673
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -33.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -419.079977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.079977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.079977 (E_RNA)
where:
Base-Base interactions energy: -272.990
where: short stacking energy: -111.632
Base-Backbone interact. energy: -0.452
local terms energy: -145.638599
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -35.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -414.854842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.854842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.854842 (E_RNA)
where:
Base-Base interactions energy: -268.084
where: short stacking energy: -133.001
Base-Backbone interact. energy: -0.180
local terms energy: -146.590636
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -40.511
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: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -399.798610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.798610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.798610 (E_RNA)
where:
Base-Base interactions energy: -261.887
where: short stacking energy: -126.603
Base-Backbone interact. energy: -0.268
local terms energy: -137.643302
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -18.482
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -364.305891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.305891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.305891 (E_RNA)
where:
Base-Base interactions energy: -242.756
where: short stacking energy: -115.306
Base-Backbone interact. energy: -0.295
local terms energy: -121.254046
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -27.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -276.319781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.319781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.319781 (E_RNA)
where:
Base-Base interactions energy: -157.710
where: short stacking energy: -85.836
Base-Backbone interact. energy: -0.522
local terms energy: -118.087851
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -251.897699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.897699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.897699 (E_RNA)
where:
Base-Base interactions energy: -164.897
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.463
local terms energy: -86.538024
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -5.964
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: 379
Temperature: 1.300000
Total energy: -138.619774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.619774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.619774 (E_RNA)
where:
Base-Base interactions energy: -56.558
where: short stacking energy: -39.273
Base-Backbone interact. energy: 2.000
local terms energy: -84.061591
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -6.140
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: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -121.203819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.203819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.203819 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -38.686
Base-Backbone interact. energy: -1.178
local terms energy: -80.349934
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -472.531604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.531604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.531604 (E_RNA)
where:
Base-Base interactions energy: -324.747
where: short stacking energy: -145.542
Base-Backbone interact. energy: 1.503
local terms energy: -149.287511
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -21.514
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: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -448.851386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.851386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.851386 (E_RNA)
where:
Base-Base interactions energy: -301.838
where: short stacking energy: -127.460
Base-Backbone interact. energy: -0.249
local terms energy: -146.764794
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -36.642
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: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -430.879973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.879973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.879973 (E_RNA)
where:
Base-Base interactions energy: -281.632
where: short stacking energy: -128.214
Base-Backbone interact. energy: -0.321
local terms energy: -148.927439
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -41.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -392.740702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.740702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.740702 (E_RNA)
where:
Base-Base interactions energy: -255.982
where: short stacking energy: -121.516
Base-Backbone interact. energy: -0.162
local terms energy: -136.596954
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -34.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -382.139936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.139936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.139936 (E_RNA)
where:
Base-Base interactions energy: -244.285
where: short stacking energy: -122.477
Base-Backbone interact. energy: -1.172
local terms energy: -136.682414
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -371.331749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.331749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.331749 (E_RNA)
where:
Base-Base interactions energy: -237.377
where: short stacking energy: -113.183
Base-Backbone interact. energy: -0.151
local terms energy: -133.803922
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -29.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -302.700126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.700126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.700126 (E_RNA)
where:
Base-Base interactions energy: -187.127
where: short stacking energy: -89.579
Base-Backbone interact. energy: 0.950
local terms energy: -116.522996
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -254.246861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.246861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.246861 (E_RNA)
where:
Base-Base interactions energy: -154.276
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.173
local terms energy: -99.797087
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -141.158176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.158176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.158176 (E_RNA)
where:
Base-Base interactions energy: -49.102
where: short stacking energy: -44.475
Base-Backbone interact. energy: -0.620
local terms energy: -91.436648
where:
bonds (distance) C4'-P energy: -33.267
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: 1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -131.573386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.573386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.573386 (E_RNA)
where:
Base-Base interactions energy: -47.790
where: short stacking energy: -41.887
Base-Backbone interact. energy: -0.416
local terms energy: -83.366829
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: 3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -469.434592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.434592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.434592 (E_RNA)
where:
Base-Base interactions energy: -308.633
where: short stacking energy: -143.936
Base-Backbone interact. energy: -0.880
local terms energy: -159.921706
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -39.661
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -463.015182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.015182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.015182 (E_RNA)
where:
Base-Base interactions energy: -311.281
where: short stacking energy: -134.754
Base-Backbone interact. energy: -0.587
local terms energy: -151.147887
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -30.004
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -46.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -451.895471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.895471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.895471 (E_RNA)
where:
Base-Base interactions energy: -304.991
where: short stacking energy: -140.256
Base-Backbone interact. energy: -0.248
local terms energy: -146.656781
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -41.005
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -389.015619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.015619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.015619 (E_RNA)
where:
Base-Base interactions energy: -254.947
where: short stacking energy: -120.961
Base-Backbone interact. energy: -0.379
local terms energy: -133.689851
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -34.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -379.316099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.316099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.316099 (E_RNA)
where:
Base-Base interactions energy: -258.626
where: short stacking energy: -133.192
Base-Backbone interact. energy: -0.172
local terms energy: -120.518716
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -34.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -350.058017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.058017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.058017 (E_RNA)
where:
Base-Base interactions energy: -221.717
where: short stacking energy: -106.149
Base-Backbone interact. energy: -0.315
local terms energy: -128.025905
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -267.536329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.536329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.536329 (E_RNA)
where:
Base-Base interactions energy: -173.765
where: short stacking energy: -82.383
Base-Backbone interact. energy: 0.031
local terms energy: -93.802215
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -20.700
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: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -268.141477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.141477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.141477 (E_RNA)
where:
Base-Base interactions energy: -169.071
where: short stacking energy: -74.520
Base-Backbone interact. energy: 0.787
local terms energy: -99.857280
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -131.817583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.817583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.817583 (E_RNA)
where:
Base-Base interactions energy: -43.161
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.764
local terms energy: -87.892857
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -121.958963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.958963 (E_RNA)
where:
Base-Base interactions energy: -44.101
where: short stacking energy: -39.320
Base-Backbone interact. energy: 2.803
local terms energy: -80.661680
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: 1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -472.568358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.568358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.568358 (E_RNA)
where:
Base-Base interactions energy: -313.094
where: short stacking energy: -142.145
Base-Backbone interact. energy: -1.265
local terms energy: -158.209459
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -41.327
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: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -466.808877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.808877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.808877 (E_RNA)
where:
Base-Base interactions energy: -315.535
where: short stacking energy: -140.918
Base-Backbone interact. energy: -2.094
local terms energy: -149.180100
where:
bonds (distance) C4'-P energy: -29.809
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -44.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -427.008812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.008812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.008812 (E_RNA)
where:
Base-Base interactions energy: -295.932
where: short stacking energy: -144.372
Base-Backbone interact. energy: 0.290
local terms energy: -131.366495
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -35.330
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -416.238648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.238648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.238648 (E_RNA)
where:
Base-Base interactions energy: -266.770
where: short stacking energy: -129.480
Base-Backbone interact. energy: -0.050
local terms energy: -149.418279
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -34.946
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: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -352.335712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.335712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.335712 (E_RNA)
where:
Base-Base interactions energy: -212.360
where: short stacking energy: -106.273
Base-Backbone interact. energy: -0.104
local terms energy: -139.871842
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -29.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -368.911948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.911948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.911948 (E_RNA)
where:
Base-Base interactions energy: -238.702
where: short stacking energy: -109.418
Base-Backbone interact. energy: -0.088
local terms energy: -130.121806
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -35.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -269.090155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.090155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.090155 (E_RNA)
where:
Base-Base interactions energy: -162.582
where: short stacking energy: -76.033
Base-Backbone interact. energy: -0.325
local terms energy: -106.183187
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -287.522929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.522929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.522929 (E_RNA)
where:
Base-Base interactions energy: -172.453
where: short stacking energy: -89.936
Base-Backbone interact. energy: -0.233
local terms energy: -114.837805
where:
bonds (distance) C4'-P energy: -33.003
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -26.493
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -133.106033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.106033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.106033 (E_RNA)
where:
Base-Base interactions energy: -46.519
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.902
local terms energy: -85.685358
where:
bonds (distance) C4'-P energy: -28.231
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: 4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -139.237765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.237765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.237765 (E_RNA)
where:
Base-Base interactions energy: -66.617
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.347
local terms energy: -72.273766
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -487.234474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.234474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.234474 (E_RNA)
where:
Base-Base interactions energy: -331.127
where: short stacking energy: -143.608
Base-Backbone interact. energy: -1.536
local terms energy: -154.571221
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -42.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -471.682810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.682810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.682810 (E_RNA)
where:
Base-Base interactions energy: -317.303
where: short stacking energy: -137.638
Base-Backbone interact. energy: -0.804
local terms energy: -153.575697
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -45.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -429.402933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.402933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.402933 (E_RNA)
where:
Base-Base interactions energy: -288.758
where: short stacking energy: -123.492
Base-Backbone interact. energy: -0.671
local terms energy: -139.973268
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -30.102
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: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -393.751805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.751805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.751805 (E_RNA)
where:
Base-Base interactions energy: -256.361
where: short stacking energy: -117.272
Base-Backbone interact. energy: -0.952
local terms energy: -136.439079
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -19.151
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: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -349.025219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.025219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.025219 (E_RNA)
where:
Base-Base interactions energy: -229.456
where: short stacking energy: -109.670
Base-Backbone interact. energy: 0.165
local terms energy: -119.733896
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -25.003
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: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -356.224750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.224750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.224750 (E_RNA)
where:
Base-Base interactions energy: -231.920
where: short stacking energy: -108.162
Base-Backbone interact. energy: -0.697
local terms energy: -123.607091
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -28.449
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: 383
Temperature: 1.200000
Total energy: -297.791137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.791137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.791137 (E_RNA)
where:
Base-Base interactions energy: -191.384
where: short stacking energy: -86.110
Base-Backbone interact. energy: -0.624
local terms energy: -105.782224
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -294.061528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.061528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.061528 (E_RNA)
where:
Base-Base interactions energy: -170.415
where: short stacking energy: -90.005
Base-Backbone interact. energy: 2.868
local terms energy: -126.515388
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -28.178
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -146.343413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.343413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.343413 (E_RNA)
where:
Base-Base interactions energy: -58.989
where: short stacking energy: -53.572
Base-Backbone interact. energy: -1.074
local terms energy: -86.280612
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -3.923
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: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -133.790741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.790741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.790741 (E_RNA)
where:
Base-Base interactions energy: -45.684
where: short stacking energy: -45.684
Base-Backbone interact. energy: -0.656
local terms energy: -87.451186
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -473.782430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.782430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.782430 (E_RNA)
where:
Base-Base interactions energy: -316.149
where: short stacking energy: -136.758
Base-Backbone interact. energy: -0.290
local terms energy: -157.343641
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -45.479
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: 384
Temperature: 0.950000
Total energy: -470.656482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.656482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.656482 (E_RNA)
where:
Base-Base interactions energy: -320.304
where: short stacking energy: -143.974
Base-Backbone interact. energy: -1.447
local terms energy: -148.906118
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -46.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -428.852846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.852846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.852846 (E_RNA)
where:
Base-Base interactions energy: -288.829
where: short stacking energy: -122.666
Base-Backbone interact. energy: 0.790
local terms energy: -140.813482
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -31.850
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -32.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -392.958571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.958571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.958571 (E_RNA)
where:
Base-Base interactions energy: -263.973
where: short stacking energy: -119.773
Base-Backbone interact. energy: 0.151
local terms energy: -129.136673
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -362.647205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.647205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.647205 (E_RNA)
where:
Base-Base interactions energy: -225.138
where: short stacking energy: -112.031
Base-Backbone interact. energy: -0.177
local terms energy: -137.331736
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -27.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -344.211230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.211230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.211230 (E_RNA)
where:
Base-Base interactions energy: -220.001
where: short stacking energy: -96.979
Base-Backbone interact. energy: -0.114
local terms energy: -124.095938
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -291.086944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.086944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.086944 (E_RNA)
where:
Base-Base interactions energy: -174.522
where: short stacking energy: -83.601
Base-Backbone interact. energy: -1.309
local terms energy: -115.255837
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -294.785859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.785859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.785859 (E_RNA)
where:
Base-Base interactions energy: -192.902
where: short stacking energy: -77.965
Base-Backbone interact. energy: 1.495
local terms energy: -103.379375
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -138.219288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.219288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.219288 (E_RNA)
where:
Base-Base interactions energy: -61.149
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.981
local terms energy: -76.089162
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -3.729
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: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -128.766230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.766230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.766230 (E_RNA)
where:
Base-Base interactions energy: -54.213
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.808
local terms energy: -73.745773
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: 5.367
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: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -456.576612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.576612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.576612 (E_RNA)
where:
Base-Base interactions energy: -311.310
where: short stacking energy: -140.049
Base-Backbone interact. energy: -0.787
local terms energy: -144.479517
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -472.563251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.563251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.563251 (E_RNA)
where:
Base-Base interactions energy: -314.691
where: short stacking energy: -146.246
Base-Backbone interact. energy: -4.327
local terms energy: -153.545384
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -43.256
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: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -444.642609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.642609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.642609 (E_RNA)
where:
Base-Base interactions energy: -310.466
where: short stacking energy: -128.388
Base-Backbone interact. energy: 1.171
local terms energy: -135.347044
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -31.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -366.911033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.911033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.911033 (E_RNA)
where:
Base-Base interactions energy: -222.263
where: short stacking energy: -111.346
Base-Backbone interact. energy: -0.053
local terms energy: -144.594171
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -32.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -382.243135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.243135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.243135 (E_RNA)
where:
Base-Base interactions energy: -254.383
where: short stacking energy: -112.260
Base-Backbone interact. energy: -1.307
local terms energy: -126.553093
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -33.963
flat angles C4'-P-C4' energy: -27.445
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -29.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -355.098153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.098153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.098153 (E_RNA)
where:
Base-Base interactions energy: -220.679
where: short stacking energy: -106.634
Base-Backbone interact. energy: -0.217
local terms energy: -134.202456
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -29.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -297.786102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.786102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.786102 (E_RNA)
where:
Base-Base interactions energy: -195.992
where: short stacking energy: -86.837
Base-Backbone interact. energy: -0.373
local terms energy: -101.421134
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -245.159680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.159680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.159680 (E_RNA)
where:
Base-Base interactions energy: -141.969
where: short stacking energy: -74.655
Base-Backbone interact. energy: 1.276
local terms energy: -104.466979
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -144.024686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.024686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.024686 (E_RNA)
where:
Base-Base interactions energy: -57.512
where: short stacking energy: -49.448
Base-Backbone interact. energy: -0.369
local terms energy: -86.144210
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -1.581
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: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -136.334027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.334027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.334027 (E_RNA)
where:
Base-Base interactions energy: -63.620
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.694
local terms energy: -72.019506
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -479.890937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.890937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.890937 (E_RNA)
where:
Base-Base interactions energy: -329.093
where: short stacking energy: -144.597
Base-Backbone interact. energy: -0.344
local terms energy: -150.454798
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -40.523
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -454.913075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.913075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.913075 (E_RNA)
where:
Base-Base interactions energy: -313.410
where: short stacking energy: -138.669
Base-Backbone interact. energy: -0.398
local terms energy: -141.105233
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -36.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -440.028939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.028939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.028939 (E_RNA)
where:
Base-Base interactions energy: -303.096
where: short stacking energy: -125.968
Base-Backbone interact. energy: 0.832
local terms energy: -137.764978
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -33.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -369.079008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.079008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.079008 (E_RNA)
where:
Base-Base interactions energy: -226.602
where: short stacking energy: -100.608
Base-Backbone interact. energy: 1.141
local terms energy: -143.618102
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -31.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -412.215366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.215366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.215366 (E_RNA)
where:
Base-Base interactions energy: -267.466
where: short stacking energy: -135.335
Base-Backbone interact. energy: -0.171
local terms energy: -144.578631
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -17.176
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: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -370.574449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.574449 (E_RNA)
where:
Base-Base interactions energy: -241.066
where: short stacking energy: -114.891
Base-Backbone interact. energy: -0.786
local terms energy: -128.722410
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -263.153120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.153120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.153120 (E_RNA)
where:
Base-Base interactions energy: -152.757
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.123
local terms energy: -110.273615
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -263.921285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.921285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.921285 (E_RNA)
where:
Base-Base interactions energy: -163.518
where: short stacking energy: -76.369
Base-Backbone interact. energy: -1.627
local terms energy: -98.776086
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -159.730011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.730011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.730011 (E_RNA)
where:
Base-Base interactions energy: -73.190
where: short stacking energy: -48.025
Base-Backbone interact. energy: -0.835
local terms energy: -85.705658
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: 5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -124.490186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.490186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.490186 (E_RNA)
where:
Base-Base interactions energy: -29.758
where: short stacking energy: -29.097
Base-Backbone interact. energy: -0.199
local terms energy: -94.533106
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -26.380
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: 1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -484.179513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.179513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.179513 (E_RNA)
where:
Base-Base interactions energy: -336.989
where: short stacking energy: -145.371
Base-Backbone interact. energy: -0.807
local terms energy: -146.383245
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -47.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -450.266166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.266166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.266166 (E_RNA)
where:
Base-Base interactions energy: -304.926
where: short stacking energy: -130.789
Base-Backbone interact. energy: -0.488
local terms energy: -144.852768
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -36.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -443.961379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.961379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.961379 (E_RNA)
where:
Base-Base interactions energy: -295.853
where: short stacking energy: -125.272
Base-Backbone interact. energy: -0.017
local terms energy: -148.091273
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -33.073
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -44.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -413.136663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.136663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.136663 (E_RNA)
where:
Base-Base interactions energy: -268.494
where: short stacking energy: -125.770
Base-Backbone interact. energy: -0.787
local terms energy: -143.855477
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -37.924
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -344.893983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.893983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.893983 (E_RNA)
where:
Base-Base interactions energy: -230.443
where: short stacking energy: -126.572
Base-Backbone interact. energy: -0.458
local terms energy: -113.993323
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -32.892
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: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -373.209130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.209130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.209130 (E_RNA)
where:
Base-Base interactions energy: -248.194
where: short stacking energy: -112.224
Base-Backbone interact. energy: -0.359
local terms energy: -124.655909
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -30.062
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: 387
Temperature: 1.200000
Total energy: -252.171037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.171037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.171037 (E_RNA)
where:
Base-Base interactions energy: -147.515
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.864
local terms energy: -103.792224
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -14.115
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: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -266.786869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.786869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.786869 (E_RNA)
where:
Base-Base interactions energy: -163.912
where: short stacking energy: -79.785
Base-Backbone interact. energy: -0.323
local terms energy: -102.551799
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -154.761383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.761383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.761383 (E_RNA)
where:
Base-Base interactions energy: -62.572
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.791
local terms energy: -91.398953
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -134.394267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.394267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.394267 (E_RNA)
where:
Base-Base interactions energy: -47.862
where: short stacking energy: -46.897
Base-Backbone interact. energy: 1.845
local terms energy: -88.377067
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -1.688
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: 388
Temperature: 0.900000
Total energy: -475.119072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.119072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.119072 (E_RNA)
where:
Base-Base interactions energy: -327.655
where: short stacking energy: -146.251
Base-Backbone interact. energy: -0.604
local terms energy: -146.860080
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -40.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -474.806981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.806981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.806981 (E_RNA)
where:
Base-Base interactions energy: -320.709
where: short stacking energy: -134.569
Base-Backbone interact. energy: -0.858
local terms energy: -153.240466
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -28.804
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: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -423.158836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.158836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.158836 (E_RNA)
where:
Base-Base interactions energy: -276.426
where: short stacking energy: -133.690
Base-Backbone interact. energy: -0.035
local terms energy: -146.697975
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -42.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -452.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.105987 (E_RNA)
where:
Base-Base interactions energy: -300.864
where: short stacking energy: -143.153
Base-Backbone interact. energy: -0.099
local terms energy: -151.142102
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -22.173
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: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -358.195384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.195384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.195384 (E_RNA)
where:
Base-Base interactions energy: -232.751
where: short stacking energy: -105.040
Base-Backbone interact. energy: -1.276
local terms energy: -124.168543
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -22.313
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: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -366.073795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.073795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.073795 (E_RNA)
where:
Base-Base interactions energy: -234.718
where: short stacking energy: -126.855
Base-Backbone interact. energy: -0.071
local terms energy: -131.284331
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -282.749328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.749328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.749328 (E_RNA)
where:
Base-Base interactions energy: -170.340
where: short stacking energy: -87.078
Base-Backbone interact. energy: -0.853
local terms energy: -111.556517
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -268.620482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.620482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.620482 (E_RNA)
where:
Base-Base interactions energy: -167.983
where: short stacking energy: -81.949
Base-Backbone interact. energy: -0.254
local terms energy: -100.383141
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -154.310415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.310415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.310415 (E_RNA)
where:
Base-Base interactions energy: -65.673
where: short stacking energy: -37.680
Base-Backbone interact. energy: -0.244
local terms energy: -88.393934
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: 1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -129.913212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.913212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.913212 (E_RNA)
where:
Base-Base interactions energy: -36.509
where: short stacking energy: -36.509
Base-Backbone interact. energy: -0.365
local terms energy: -93.039312
where:
bonds (distance) C4'-P energy: -28.571
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -484.380226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.380226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.380226 (E_RNA)
where:
Base-Base interactions energy: -335.321
where: short stacking energy: -142.856
Base-Backbone interact. energy: -0.593
local terms energy: -148.465986
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -44.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -465.388910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.388910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.388910 (E_RNA)
where:
Base-Base interactions energy: -316.956
where: short stacking energy: -140.290
Base-Backbone interact. energy: -0.235
local terms energy: -148.197871
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -38.111
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: 389
Temperature: 1.000000
Total energy: -424.080118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.080118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.080118 (E_RNA)
where:
Base-Base interactions energy: -274.096
where: short stacking energy: -138.671
Base-Backbone interact. energy: -0.686
local terms energy: -149.298347
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -40.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -447.104331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.104331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.104331 (E_RNA)
where:
Base-Base interactions energy: -298.085
where: short stacking energy: -129.182
Base-Backbone interact. energy: -0.401
local terms energy: -148.618546
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -40.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -354.574345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.574345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.574345 (E_RNA)
where:
Base-Base interactions energy: -215.997
where: short stacking energy: -109.386
Base-Backbone interact. energy: -1.066
local terms energy: -137.511650
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -376.282007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.282007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.282007 (E_RNA)
where:
Base-Base interactions energy: -248.106
where: short stacking energy: -110.683
Base-Backbone interact. energy: -0.551
local terms energy: -127.624758
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -31.276
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: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -270.972358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.972358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.972358 (E_RNA)
where:
Base-Base interactions energy: -162.160
where: short stacking energy: -88.596
Base-Backbone interact. energy: -0.271
local terms energy: -108.541082
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -21.392
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: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -247.187162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.187162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.187162 (E_RNA)
where:
Base-Base interactions energy: -144.227
where: short stacking energy: -76.804
Base-Backbone interact. energy: -1.175
local terms energy: -101.785629
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -141.143998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.143998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.143998 (E_RNA)
where:
Base-Base interactions energy: -54.094
where: short stacking energy: -33.006
Base-Backbone interact. energy: -0.380
local terms energy: -86.669321
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -8.001
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: 389
Temperature: 1.350000
Total energy: -142.959383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.959383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.959383 (E_RNA)
where:
Base-Base interactions energy: -59.086
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.443
local terms energy: -83.430210
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -476.524074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.524074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.524074 (E_RNA)
where:
Base-Base interactions energy: -316.800
where: short stacking energy: -143.377
Base-Backbone interact. energy: -0.463
local terms energy: -159.260512
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -43.513
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: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -459.798873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.798873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.798873 (E_RNA)
where:
Base-Base interactions energy: -307.346
where: short stacking energy: -130.605
Base-Backbone interact. energy: -0.759
local terms energy: -151.693576
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -25.237
tors. eta vs tors. theta energy: -35.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -445.767222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.767222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.767222 (E_RNA)
where:
Base-Base interactions energy: -292.445
where: short stacking energy: -135.748
Base-Backbone interact. energy: -0.650
local terms energy: -152.671598
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -33.790
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -46.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -412.214445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.214445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.214445 (E_RNA)
where:
Base-Base interactions energy: -268.470
where: short stacking energy: -126.585
Base-Backbone interact. energy: -2.954
local terms energy: -140.790307
where:
bonds (distance) C4'-P energy: -29.560
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -35.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -349.584169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.584169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.584169 (E_RNA)
where:
Base-Base interactions energy: -229.316
where: short stacking energy: -101.114
Base-Backbone interact. energy: -0.439
local terms energy: -119.828910
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -346.952808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.952808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.952808 (E_RNA)
where:
Base-Base interactions energy: -220.460
where: short stacking energy: -100.920
Base-Backbone interact. energy: -0.259
local terms energy: -126.234422
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -30.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -262.637000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.637000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.637000 (E_RNA)
where:
Base-Base interactions energy: -168.015
where: short stacking energy: -79.561
Base-Backbone interact. energy: -0.529
local terms energy: -94.092549
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -250.933662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.933662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.933662 (E_RNA)
where:
Base-Base interactions energy: -138.522
where: short stacking energy: -77.753
Base-Backbone interact. energy: -0.166
local terms energy: -112.245846
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -18.300
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -167.593041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.593041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.593041 (E_RNA)
where:
Base-Base interactions energy: -78.191
where: short stacking energy: -44.647
Base-Backbone interact. energy: -0.517
local terms energy: -88.885389
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -141.153868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.153868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.153868 (E_RNA)
where:
Base-Base interactions energy: -56.854
where: short stacking energy: -49.363
Base-Backbone interact. energy: 4.213
local terms energy: -88.512366
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: 1.108
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: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -485.847940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.847940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.847940 (E_RNA)
where:
Base-Base interactions energy: -337.362
where: short stacking energy: -138.661
Base-Backbone interact. energy: -0.632
local terms energy: -147.853726
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -42.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -453.979783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.979783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.979783 (E_RNA)
where:
Base-Base interactions energy: -320.136
where: short stacking energy: -134.641
Base-Backbone interact. energy: -0.080
local terms energy: -133.763619
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -20.904
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: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -451.419945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.419945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.419945 (E_RNA)
where:
Base-Base interactions energy: -299.437
where: short stacking energy: -140.404
Base-Backbone interact. energy: -0.831
local terms energy: -151.151359
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -49.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -406.422724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.422724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.422724 (E_RNA)
where:
Base-Base interactions energy: -266.702
where: short stacking energy: -120.361
Base-Backbone interact. energy: 1.251
local terms energy: -140.972345
where:
bonds (distance) C4'-P energy: -30.042
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -17.563
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: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -386.032357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.032357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.032357 (E_RNA)
where:
Base-Base interactions energy: -253.169
where: short stacking energy: -123.061
Base-Backbone interact. energy: -0.109
local terms energy: -132.754465
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -32.158
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: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -357.488227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.488227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.488227 (E_RNA)
where:
Base-Base interactions energy: -230.868
where: short stacking energy: -110.281
Base-Backbone interact. energy: 0.131
local terms energy: -126.751181
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -32.930
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: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -265.782457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.782457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.782457 (E_RNA)
where:
Base-Base interactions energy: -161.974
where: short stacking energy: -84.548
Base-Backbone interact. energy: 1.745
local terms energy: -105.553432
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -11.977
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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -234.818064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.818064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.818064 (E_RNA)
where:
Base-Base interactions energy: -141.704
where: short stacking energy: -81.737
Base-Backbone interact. energy: -0.149
local terms energy: -92.965984
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -145.560832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.560832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.560832 (E_RNA)
where:
Base-Base interactions energy: -74.437
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.584
local terms energy: -70.538955
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: 4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -132.855960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.855960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.855960 (E_RNA)
where:
Base-Base interactions energy: -42.787
where: short stacking energy: -34.212
Base-Backbone interact. energy: -0.529
local terms energy: -89.540077
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: 3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -462.189738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.189738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.189738 (E_RNA)
where:
Base-Base interactions energy: -311.639
where: short stacking energy: -138.018
Base-Backbone interact. energy: -0.666
local terms energy: -149.884582
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -40.290
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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -481.820245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.820245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.820245 (E_RNA)
where:
Base-Base interactions energy: -338.898
where: short stacking energy: -145.036
Base-Backbone interact. energy: -0.580
local terms energy: -142.342570
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -17.758
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -452.499426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.499426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.499426 (E_RNA)
where:
Base-Base interactions energy: -306.004
where: short stacking energy: -139.968
Base-Backbone interact. energy: -1.370
local terms energy: -145.125859
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -41.033
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: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -419.476612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.476612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.476612 (E_RNA)
where:
Base-Base interactions energy: -281.971
where: short stacking energy: -130.516
Base-Backbone interact. energy: -0.135
local terms energy: -137.370377
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -42.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -389.394869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.394869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.394869 (E_RNA)
where:
Base-Base interactions energy: -250.793
where: short stacking energy: -115.363
Base-Backbone interact. energy: -0.055
local terms energy: -138.547293
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -28.108
flat angles P-C4'-P energy: -22.065
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: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -347.819625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.819625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.819625 (E_RNA)
where:
Base-Base interactions energy: -225.098
where: short stacking energy: -109.553
Base-Backbone interact. energy: -0.731
local terms energy: -121.990611
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -29.621
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: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -270.754544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.754544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.754544 (E_RNA)
where:
Base-Base interactions energy: -183.091
where: short stacking energy: -89.752
Base-Backbone interact. energy: -0.326
local terms energy: -87.337960
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -7.680
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: 392
Temperature: 1.250000
Total energy: -266.387931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.387931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.387931 (E_RNA)
where:
Base-Base interactions energy: -161.103
where: short stacking energy: -77.205
Base-Backbone interact. energy: -0.280
local terms energy: -105.004733
where:
bonds (distance) C4'-P energy: -28.678
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -28.842
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -8.709
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: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -161.446329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.446329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.446329 (E_RNA)
where:
Base-Base interactions energy: -65.671
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.973
local terms energy: -94.801746
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -30.148
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -138.528982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.528982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.528982 (E_RNA)
where:
Base-Base interactions energy: -51.660
where: short stacking energy: -42.081
Base-Backbone interact. energy: -0.274
local terms energy: -86.594859
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -12.042
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: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -468.818835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.818835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.818835 (E_RNA)
where:
Base-Base interactions energy: -322.706
where: short stacking energy: -139.178
Base-Backbone interact. energy: -0.482
local terms energy: -145.630784
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -461.411151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.411151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.411151 (E_RNA)
where:
Base-Base interactions energy: -303.792
where: short stacking energy: -129.938
Base-Backbone interact. energy: -0.776
local terms energy: -156.843554
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -42.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -455.686123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.686123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.686123 (E_RNA)
where:
Base-Base interactions energy: -308.025
where: short stacking energy: -129.988
Base-Backbone interact. energy: 0.752
local terms energy: -148.413107
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -33.774
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -37.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -416.682843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.682843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.682843 (E_RNA)
where:
Base-Base interactions energy: -266.788
where: short stacking energy: -126.813
Base-Backbone interact. energy: -0.245
local terms energy: -149.649895
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -33.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -376.467920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.467920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.467920 (E_RNA)
where:
Base-Base interactions energy: -240.789
where: short stacking energy: -113.762
Base-Backbone interact. energy: -0.118
local terms energy: -135.560951
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -32.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -363.044542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.044542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.044542 (E_RNA)
where:
Base-Base interactions energy: -221.291
where: short stacking energy: -107.677
Base-Backbone interact. energy: -0.172
local terms energy: -141.581790
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -274.772215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.772215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.772215 (E_RNA)
where:
Base-Base interactions energy: -158.338
where: short stacking energy: -99.261
Base-Backbone interact. energy: -0.354
local terms energy: -116.080501
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -267.879794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.879794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.879794 (E_RNA)
where:
Base-Base interactions energy: -163.410
where: short stacking energy: -86.798
Base-Backbone interact. energy: 1.118
local terms energy: -105.587874
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -156.530294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.530294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.530294 (E_RNA)
where:
Base-Base interactions energy: -69.688
where: short stacking energy: -57.676
Base-Backbone interact. energy: 0.415
local terms energy: -87.257499
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -24.488
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: 3.558
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: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -156.444920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.444920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.444920 (E_RNA)
where:
Base-Base interactions energy: -68.380
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.570
local terms energy: -87.495304
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -474.570187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.570187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.570187 (E_RNA)
where:
Base-Base interactions energy: -317.360
where: short stacking energy: -140.960
Base-Backbone interact. energy: -0.043
local terms energy: -157.167914
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -46.333
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: 394
Temperature: 0.950000
Total energy: -448.361619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.361619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.361619 (E_RNA)
where:
Base-Base interactions energy: -309.615
where: short stacking energy: -129.592
Base-Backbone interact. energy: -0.312
local terms energy: -138.434201
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -36.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -460.604251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.604251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.604251 (E_RNA)
where:
Base-Base interactions energy: -316.550
where: short stacking energy: -140.366
Base-Backbone interact. energy: -1.203
local terms energy: -142.851515
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -42.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -380.994071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.994071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.994071 (E_RNA)
where:
Base-Base interactions energy: -246.520
where: short stacking energy: -117.257
Base-Backbone interact. energy: 0.431
local terms energy: -134.904761
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -29.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -391.024824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.024824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.024824 (E_RNA)
where:
Base-Base interactions energy: -259.542
where: short stacking energy: -123.825
Base-Backbone interact. energy: -0.953
local terms energy: -130.529516
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -29.983
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: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -349.138087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.138087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.138087 (E_RNA)
where:
Base-Base interactions energy: -216.506
where: short stacking energy: -102.110
Base-Backbone interact. energy: -0.844
local terms energy: -131.788210
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -28.256
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -295.775136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.775136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.775136 (E_RNA)
where:
Base-Base interactions energy: -191.615
where: short stacking energy: -76.161
Base-Backbone interact. energy: -0.290
local terms energy: -103.870824
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -9.539
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: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -268.884984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.884984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.884984 (E_RNA)
where:
Base-Base interactions energy: -161.370
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.058
local terms energy: -107.456889
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -162.008010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.008010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.008010 (E_RNA)
where:
Base-Base interactions energy: -93.740
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.013
local terms energy: -68.255252
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -2.058
tors. eta vs tors. theta energy: 2.693
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: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -128.689895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.689895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.689895 (E_RNA)
where:
Base-Base interactions energy: -55.595
where: short stacking energy: -47.100
Base-Backbone interact. energy: -0.813
local terms energy: -72.281780
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -476.135345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.135345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.135345 (E_RNA)
where:
Base-Base interactions energy: -326.743
where: short stacking energy: -140.336
Base-Backbone interact. energy: -1.268
local terms energy: -148.124626
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -28.916
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -41.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -460.296304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.296304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.296304 (E_RNA)
where:
Base-Base interactions energy: -319.433
where: short stacking energy: -146.553
Base-Backbone interact. energy: 2.743
local terms energy: -143.606621
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -29.737
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -38.450
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: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -450.412777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.412777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.412777 (E_RNA)
where:
Base-Base interactions energy: -295.691
where: short stacking energy: -123.937
Base-Backbone interact. energy: -0.257
local terms energy: -154.464474
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -38.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -388.156771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.156771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.156771 (E_RNA)
where:
Base-Base interactions energy: -250.058
where: short stacking energy: -115.830
Base-Backbone interact. energy: -0.033
local terms energy: -138.065128
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -33.318
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -367.080311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.080311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.080311 (E_RNA)
where:
Base-Base interactions energy: -236.225
where: short stacking energy: -117.502
Base-Backbone interact. energy: -0.025
local terms energy: -130.830636
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -17.661
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: 395
Temperature: 1.150000
Total energy: -339.715420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.715420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.715420 (E_RNA)
where:
Base-Base interactions energy: -215.104
where: short stacking energy: -112.487
Base-Backbone interact. energy: -1.011
local terms energy: -123.599969
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -25.436
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: 395
Temperature: 1.200000
Total energy: -269.683730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.683730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.683730 (E_RNA)
where:
Base-Base interactions energy: -162.896
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.231
local terms energy: -106.556488
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -10.891
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: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -263.781169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.781169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.781169 (E_RNA)
where:
Base-Base interactions energy: -166.155
where: short stacking energy: -81.598
Base-Backbone interact. energy: -0.182
local terms energy: -97.444111
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -154.549752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.549752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.549752 (E_RNA)
where:
Base-Base interactions energy: -63.049
where: short stacking energy: -50.335
Base-Backbone interact. energy: 1.129
local terms energy: -92.629633
where:
bonds (distance) C4'-P energy: -29.558
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -122.428618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.428618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.428618 (E_RNA)
where:
Base-Base interactions energy: -40.105
where: short stacking energy: -26.343
Base-Backbone interact. energy: -0.292
local terms energy: -82.031637
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -13.841
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: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -482.344456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.344456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.344456 (E_RNA)
where:
Base-Base interactions energy: -319.827
where: short stacking energy: -144.562
Base-Backbone interact. energy: -0.772
local terms energy: -161.745319
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -19.392
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -467.896993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.896993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.896993 (E_RNA)
where:
Base-Base interactions energy: -307.657
where: short stacking energy: -139.234
Base-Backbone interact. energy: -0.462
local terms energy: -159.778270
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -26.074
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: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -442.470962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.470962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.470962 (E_RNA)
where:
Base-Base interactions energy: -309.180
where: short stacking energy: -141.659
Base-Backbone interact. energy: 0.004
local terms energy: -133.295029
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -38.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -400.799273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.799273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.799273 (E_RNA)
where:
Base-Base interactions energy: -262.693
where: short stacking energy: -132.908
Base-Backbone interact. energy: -0.952
local terms energy: -137.154168
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -39.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -360.611577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.611577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.611577 (E_RNA)
where:
Base-Base interactions energy: -239.410
where: short stacking energy: -110.145
Base-Backbone interact. energy: -1.058
local terms energy: -120.143076
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -30.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -351.875878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.875878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.875878 (E_RNA)
where:
Base-Base interactions energy: -225.070
where: short stacking energy: -109.727
Base-Backbone interact. energy: -1.665
local terms energy: -125.140441
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -31.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -299.567573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.567573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.567573 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -87.538
Base-Backbone interact. energy: -0.643
local terms energy: -117.825427
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -13.630
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: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -239.377841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.377841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.377841 (E_RNA)
where:
Base-Base interactions energy: -137.091
where: short stacking energy: -68.206
Base-Backbone interact. energy: 0.683
local terms energy: -102.970290
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -13.752
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: 396
Temperature: 1.300000
Total energy: -176.650440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.650440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.650440 (E_RNA)
where:
Base-Base interactions energy: -82.640
where: short stacking energy: -37.668
Base-Backbone interact. energy: 0.023
local terms energy: -94.033603
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -143.112132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.112132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.112132 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.553
local terms energy: -97.936738
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: 6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -468.664360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.664360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.664360 (E_RNA)
where:
Base-Base interactions energy: -319.870
where: short stacking energy: -127.314
Base-Backbone interact. energy: -1.373
local terms energy: -147.421160
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -19.740
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: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -466.758601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.758601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.758601 (E_RNA)
where:
Base-Base interactions energy: -319.507
where: short stacking energy: -146.204
Base-Backbone interact. energy: 1.180
local terms energy: -148.431799
where:
bonds (distance) C4'-P energy: -31.979
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -33.395
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -42.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -456.461132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.461132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.461132 (E_RNA)
where:
Base-Base interactions energy: -301.507
where: short stacking energy: -136.452
Base-Backbone interact. energy: -0.214
local terms energy: -154.740762
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -41.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -404.539996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.539996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.539996 (E_RNA)
where:
Base-Base interactions energy: -276.901
where: short stacking energy: -131.700
Base-Backbone interact. energy: -0.336
local terms energy: -127.303211
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -40.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -388.318486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.318486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.318486 (E_RNA)
where:
Base-Base interactions energy: -247.312
where: short stacking energy: -119.383
Base-Backbone interact. energy: -0.673
local terms energy: -140.333521
where:
bonds (distance) C4'-P energy: -30.813
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -21.721
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: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -361.239664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.239664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.239664 (E_RNA)
where:
Base-Base interactions energy: -231.403
where: short stacking energy: -99.086
Base-Backbone interact. energy: -0.192
local terms energy: -129.645207
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -16.048
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: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -297.845845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.845845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.845845 (E_RNA)
where:
Base-Base interactions energy: -183.335
where: short stacking energy: -87.379
Base-Backbone interact. energy: -1.144
local terms energy: -113.366431
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -248.363161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.363161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.363161 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -73.576
Base-Backbone interact. energy: 3.976
local terms energy: -106.792362
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -156.124602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.124602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.124602 (E_RNA)
where:
Base-Base interactions energy: -82.077
where: short stacking energy: -51.339
Base-Backbone interact. energy: -1.888
local terms energy: -72.160257
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: 2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -136.907850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.907850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.907850 (E_RNA)
where:
Base-Base interactions energy: -51.116
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.444
local terms energy: -85.348162
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -18.998
tors. eta vs tors. theta energy: 3.058
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -473.045778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.045778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.045778 (E_RNA)
where:
Base-Base interactions energy: -314.110
where: short stacking energy: -145.539
Base-Backbone interact. energy: -1.485
local terms energy: -157.451326
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -44.020
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: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -463.017718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.017718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.017718 (E_RNA)
where:
Base-Base interactions energy: -320.772
where: short stacking energy: -128.464
Base-Backbone interact. energy: -0.773
local terms energy: -141.472888
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -41.408
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: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -444.142161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.142161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.142161 (E_RNA)
where:
Base-Base interactions energy: -294.080
where: short stacking energy: -130.035
Base-Backbone interact. energy: -0.346
local terms energy: -149.716524
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -38.853
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: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -408.155959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.155959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.155959 (E_RNA)
where:
Base-Base interactions energy: -274.516
where: short stacking energy: -142.242
Base-Backbone interact. energy: -0.249
local terms energy: -133.390706
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -41.336
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: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -356.226910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.226910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.226910 (E_RNA)
where:
Base-Base interactions energy: -221.894
where: short stacking energy: -109.603
Base-Backbone interact. energy: 0.453
local terms energy: -134.786088
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -35.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -374.764089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.764089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.764089 (E_RNA)
where:
Base-Base interactions energy: -234.413
where: short stacking energy: -119.130
Base-Backbone interact. energy: -0.008
local terms energy: -140.342437
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -36.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -289.778847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.778847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.778847 (E_RNA)
where:
Base-Base interactions energy: -171.858
where: short stacking energy: -89.454
Base-Backbone interact. energy: -0.364
local terms energy: -117.557073
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -254.081849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.081849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.081849 (E_RNA)
where:
Base-Base interactions energy: -157.380
where: short stacking energy: -76.807
Base-Backbone interact. energy: -0.138
local terms energy: -96.564238
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -145.708984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.708984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.708984 (E_RNA)
where:
Base-Base interactions energy: -55.432
where: short stacking energy: -32.909
Base-Backbone interact. energy: 3.145
local terms energy: -93.421445
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -144.233065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.233065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.233065 (E_RNA)
where:
Base-Base interactions energy: -65.857
where: short stacking energy: -39.611
Base-Backbone interact. energy: 4.775
local terms energy: -83.151091
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -476.503679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.503679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.503679 (E_RNA)
where:
Base-Base interactions energy: -315.400
where: short stacking energy: -139.651
Base-Backbone interact. energy: 1.047
local terms energy: -162.150935
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -45.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -448.908813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.908813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.908813 (E_RNA)
where:
Base-Base interactions energy: -303.527
where: short stacking energy: -134.438
Base-Backbone interact. energy: -0.902
local terms energy: -144.479311
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -39.807
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -457.134359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.134359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.134359 (E_RNA)
where:
Base-Base interactions energy: -307.861
where: short stacking energy: -133.178
Base-Backbone interact. energy: -0.594
local terms energy: -148.679764
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -42.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -359.326123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.326123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.326123 (E_RNA)
where:
Base-Base interactions energy: -229.634
where: short stacking energy: -115.837
Base-Backbone interact. energy: -0.308
local terms energy: -129.384467
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -398.503334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.503334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.503334 (E_RNA)
where:
Base-Base interactions energy: -276.186
where: short stacking energy: -130.700
Base-Backbone interact. energy: -1.153
local terms energy: -121.164398
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -33.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -365.287769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.287769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.287769 (E_RNA)
where:
Base-Base interactions energy: -230.740
where: short stacking energy: -109.631
Base-Backbone interact. energy: -0.406
local terms energy: -134.142015
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -32.738
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: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -274.920073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.920073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.920073 (E_RNA)
where:
Base-Base interactions energy: -157.498
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.671
local terms energy: -116.750739
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -18.217
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: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -273.697884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.697884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.697884 (E_RNA)
where:
Base-Base interactions energy: -160.448
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.539
local terms energy: -112.711278
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -16.680
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: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -165.340990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.340990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.340990 (E_RNA)
where:
Base-Base interactions energy: -77.864
where: short stacking energy: -44.508
Base-Backbone interact. energy: 0.092
local terms energy: -87.569559
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -133.381482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.381482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.381482 (E_RNA)
where:
Base-Base interactions energy: -43.508
where: short stacking energy: -39.066
Base-Backbone interact. energy: -0.227
local terms energy: -89.646583
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: 4.937
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -471.824738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.824738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.824738 (E_RNA)
where:
Base-Base interactions energy: -313.593
where: short stacking energy: -139.771
Base-Backbone interact. energy: -1.640
local terms energy: -156.592121
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -40.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -440.864256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.864256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.864256 (E_RNA)
where:
Base-Base interactions energy: -296.685
where: short stacking energy: -125.220
Base-Backbone interact. energy: -0.836
local terms energy: -143.342526
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -33.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -446.718076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.718076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.718076 (E_RNA)
where:
Base-Base interactions energy: -296.575
where: short stacking energy: -131.076
Base-Backbone interact. energy: -0.625
local terms energy: -149.517969
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -26.683
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -44.178
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: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -346.552728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.552728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.552728 (E_RNA)
where:
Base-Base interactions energy: -220.118
where: short stacking energy: -107.406
Base-Backbone interact. energy: -0.856
local terms energy: -125.579032
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -31.992
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -408.358713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.358713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.358713 (E_RNA)
where:
Base-Base interactions energy: -273.938
where: short stacking energy: -137.724
Base-Backbone interact. energy: -0.070
local terms energy: -134.350061
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -39.055
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: 400
Temperature: 1.150000
Total energy: -363.957399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.957399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.957399 (E_RNA)
where:
Base-Base interactions energy: -228.353
where: short stacking energy: -103.718
Base-Backbone interact. energy: -0.064
local terms energy: -135.540283
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -281.775648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.775648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.775648 (E_RNA)
where:
Base-Base interactions energy: -172.938
where: short stacking energy: -82.559
Base-Backbone interact. energy: -0.147
local terms energy: -108.690699
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -302.285404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.285404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.285404 (E_RNA)
where:
Base-Base interactions energy: -194.596
where: short stacking energy: -90.958
Base-Backbone interact. energy: -0.778
local terms energy: -106.910745
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -18.302
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -176.206978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.206978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.206978 (E_RNA)
where:
Base-Base interactions energy: -77.607
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.230
local terms energy: -98.369807
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -9.600
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: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -141.105513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.105513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.105513 (E_RNA)
where:
Base-Base interactions energy: -52.574
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.501
local terms energy: -88.030382
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: 3.931
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: 401
Temperature: 0.900000
Total energy: -465.799610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.799610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.799610 (E_RNA)
where:
Base-Base interactions energy: -301.304
where: short stacking energy: -128.625
Base-Backbone interact. energy: -0.584
local terms energy: -163.911324
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -33.311
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -44.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -456.742377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.742377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.742377 (E_RNA)
where:
Base-Base interactions energy: -299.930
where: short stacking energy: -133.167
Base-Backbone interact. energy: -0.016
local terms energy: -156.796356
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -46.071
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: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -441.365737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.365737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.365737 (E_RNA)
where:
Base-Base interactions energy: -311.715
where: short stacking energy: -131.799
Base-Backbone interact. energy: -0.014
local terms energy: -129.636027
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -27.144
flat angles P-C4'-P energy: -18.784
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: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -413.605164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.605164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.605164 (E_RNA)
where:
Base-Base interactions energy: -270.045
where: short stacking energy: -126.090
Base-Backbone interact. energy: -1.241
local terms energy: -142.318719
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -38.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -359.926760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.926760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.926760 (E_RNA)
where:
Base-Base interactions energy: -220.188
where: short stacking energy: -97.400
Base-Backbone interact. energy: 2.001
local terms energy: -141.739285
where:
bonds (distance) C4'-P energy: -28.143
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -268.047725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.047725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.047725 (E_RNA)
where:
Base-Base interactions energy: -160.448
where: short stacking energy: -77.449
Base-Backbone interact. energy: 0.294
local terms energy: -107.893860
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -332.171471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.171471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.171471 (E_RNA)
where:
Base-Base interactions energy: -212.915
where: short stacking energy: -96.203
Base-Backbone interact. energy: 1.048
local terms energy: -120.304137
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -23.404
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: 401
Temperature: 1.250000
Total energy: -269.997248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.997248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.997248 (E_RNA)
where:
Base-Base interactions energy: -173.995
where: short stacking energy: -73.319
Base-Backbone interact. energy: -0.593
local terms energy: -95.408382
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -25.056
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -16.817
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: 401
Temperature: 1.300000
Total energy: -150.099669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.099669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.099669 (E_RNA)
where:
Base-Base interactions energy: -65.683
where: short stacking energy: -37.079
Base-Backbone interact. energy: -1.750
local terms energy: -82.666839
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -147.906948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.906948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.906948 (E_RNA)
where:
Base-Base interactions energy: -54.240
where: short stacking energy: -49.051
Base-Backbone interact. energy: -0.671
local terms energy: -92.995784
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -474.770200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.770200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.770200 (E_RNA)
where:
Base-Base interactions energy: -319.656
where: short stacking energy: -140.619
Base-Backbone interact. energy: -0.193
local terms energy: -154.921491
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -32.903
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -44.420
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: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -458.383208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.383208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.383208 (E_RNA)
where:
Base-Base interactions energy: -297.045
where: short stacking energy: -125.288
Base-Backbone interact. energy: -0.140
local terms energy: -161.198066
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -44.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -435.326699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.326699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.326699 (E_RNA)
where:
Base-Base interactions energy: -295.474
where: short stacking energy: -125.573
Base-Backbone interact. energy: -0.385
local terms energy: -139.467043
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -34.840
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: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -410.797696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.797696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.797696 (E_RNA)
where:
Base-Base interactions energy: -262.169
where: short stacking energy: -127.951
Base-Backbone interact. energy: -0.063
local terms energy: -148.565488
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -30.404
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -17.770
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: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -376.448619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.448619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.448619 (E_RNA)
where:
Base-Base interactions energy: -232.414
where: short stacking energy: -113.059
Base-Backbone interact. energy: -1.261
local terms energy: -142.773495
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -326.207632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.207632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.207632 (E_RNA)
where:
Base-Base interactions energy: -210.124
where: short stacking energy: -98.864
Base-Backbone interact. energy: -0.212
local terms energy: -115.871757
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -266.364887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.364887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.364887 (E_RNA)
where:
Base-Base interactions energy: -162.863
where: short stacking energy: -83.495
Base-Backbone interact. energy: -0.861
local terms energy: -102.640717
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -19.173
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: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -296.827344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.827344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.827344 (E_RNA)
where:
Base-Base interactions energy: -193.510
where: short stacking energy: -88.069
Base-Backbone interact. energy: -0.030
local terms energy: -103.287038
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -16.281
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: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -132.895465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.895465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.895465 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -41.379
Base-Backbone interact. energy: -0.392
local terms energy: -84.997892
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -2.879
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: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -139.797906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.797906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.797906 (E_RNA)
where:
Base-Base interactions energy: -44.465
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.293
local terms energy: -95.040000
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: 3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -457.818862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.818862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.818862 (E_RNA)
where:
Base-Base interactions energy: -302.964
where: short stacking energy: -133.293
Base-Backbone interact. energy: 0.146
local terms energy: -155.001359
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -40.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -439.093972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.093972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.093972 (E_RNA)
where:
Base-Base interactions energy: -304.375
where: short stacking energy: -126.626
Base-Backbone interact. energy: 0.503
local terms energy: -135.221687
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -33.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -460.975248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.975248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.975248 (E_RNA)
where:
Base-Base interactions energy: -317.280
where: short stacking energy: -125.026
Base-Backbone interact. energy: -0.739
local terms energy: -142.956228
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -393.275975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.275975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.275975 (E_RNA)
where:
Base-Base interactions energy: -268.278
where: short stacking energy: -132.836
Base-Backbone interact. energy: -0.348
local terms energy: -124.650716
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -36.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -366.692747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.692747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.692747 (E_RNA)
where:
Base-Base interactions energy: -241.928
where: short stacking energy: -117.959
Base-Backbone interact. energy: 0.585
local terms energy: -125.349489
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -27.141
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: 403
Temperature: 1.150000
Total energy: -286.713257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.713257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.713257 (E_RNA)
where:
Base-Base interactions energy: -169.423
where: short stacking energy: -88.762
Base-Backbone interact. energy: -0.115
local terms energy: -117.174843
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -19.197
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: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -294.947143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.947143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.947143 (E_RNA)
where:
Base-Base interactions energy: -179.644
where: short stacking energy: -83.521
Base-Backbone interact. energy: -0.643
local terms energy: -114.660674
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -299.465533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.465533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.465533 (E_RNA)
where:
Base-Base interactions energy: -208.749
where: short stacking energy: -99.412
Base-Backbone interact. energy: -0.345
local terms energy: -90.371254
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -148.978060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.978060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.978060 (E_RNA)
where:
Base-Base interactions energy: -61.667
where: short stacking energy: -49.115
Base-Backbone interact. energy: -0.333
local terms energy: -86.978064
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -0.318
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: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -163.577670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.577670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.577670 (E_RNA)
where:
Base-Base interactions energy: -67.919
where: short stacking energy: -55.044
Base-Backbone interact. energy: -2.436
local terms energy: -93.222642
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -473.458758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.458758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.458758 (E_RNA)
where:
Base-Base interactions energy: -322.372
where: short stacking energy: -138.703
Base-Backbone interact. energy: 0.201
local terms energy: -151.287844
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -35.799
flat angles P-C4'-P energy: -17.072
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: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -453.183115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.183115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.183115 (E_RNA)
where:
Base-Base interactions energy: -302.126
where: short stacking energy: -127.873
Base-Backbone interact. energy: -0.551
local terms energy: -150.506318
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -31.256
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -40.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -459.610994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.610994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.610994 (E_RNA)
where:
Base-Base interactions energy: -309.948
where: short stacking energy: -118.728
Base-Backbone interact. energy: -0.366
local terms energy: -149.296473
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -39.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -404.020001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.020001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.020001 (E_RNA)
where:
Base-Base interactions energy: -264.198
where: short stacking energy: -125.654
Base-Backbone interact. energy: -0.531
local terms energy: -139.291151
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -36.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -356.798323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.798323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.798323 (E_RNA)
where:
Base-Base interactions energy: -228.353
where: short stacking energy: -104.998
Base-Backbone interact. energy: -0.122
local terms energy: -128.323266
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -307.777058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.777058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.777058 (E_RNA)
where:
Base-Base interactions energy: -196.047
where: short stacking energy: -99.726
Base-Backbone interact. energy: -0.477
local terms energy: -111.252930
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -23.463
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -326.850776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.850776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.850776 (E_RNA)
where:
Base-Base interactions energy: -218.146
where: short stacking energy: -104.088
Base-Backbone interact. energy: -0.283
local terms energy: -108.421932
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -8.598
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -271.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.280242 (E_RNA)
where:
Base-Base interactions energy: -157.393
where: short stacking energy: -76.726
Base-Backbone interact. energy: -0.186
local terms energy: -113.701527
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -16.744
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -149.377519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.377519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.377519 (E_RNA)
where:
Base-Base interactions energy: -57.519
where: short stacking energy: -37.743
Base-Backbone interact. energy: 2.385
local terms energy: -94.242984
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -27.887
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: 0.953
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: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -130.018656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.018656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.018656 (E_RNA)
where:
Base-Base interactions energy: -42.754
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.366
local terms energy: -86.898879
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -480.220286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.220286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.220286 (E_RNA)
where:
Base-Base interactions energy: -321.471
where: short stacking energy: -141.734
Base-Backbone interact. energy: -1.773
local terms energy: -156.975803
where:
bonds (distance) C4'-P energy: -25.913
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -42.014
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: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -449.054051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.054051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.054051 (E_RNA)
where:
Base-Base interactions energy: -302.998
where: short stacking energy: -126.391
Base-Backbone interact. energy: -0.174
local terms energy: -145.881935
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -37.972
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: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -457.663096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.663096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.663096 (E_RNA)
where:
Base-Base interactions energy: -314.678
where: short stacking energy: -124.189
Base-Backbone interact. energy: -0.589
local terms energy: -142.395699
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -42.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -411.174241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.174241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.174241 (E_RNA)
where:
Base-Base interactions energy: -278.045
where: short stacking energy: -135.632
Base-Backbone interact. energy: 2.860
local terms energy: -135.989189
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -339.502796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.502796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.502796 (E_RNA)
where:
Base-Base interactions energy: -204.099
where: short stacking energy: -88.618
Base-Backbone interact. energy: -0.476
local terms energy: -134.927880
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -33.890
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -351.482908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.482908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.482908 (E_RNA)
where:
Base-Base interactions energy: -225.330
where: short stacking energy: -116.290
Base-Backbone interact. energy: -0.393
local terms energy: -125.759972
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -282.746733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.746733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.746733 (E_RNA)
where:
Base-Base interactions energy: -183.247
where: short stacking energy: -77.722
Base-Backbone interact. energy: -0.141
local terms energy: -99.359077
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -272.982861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.982861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.982861 (E_RNA)
where:
Base-Base interactions energy: -149.212
where: short stacking energy: -79.338
Base-Backbone interact. energy: -0.046
local terms energy: -123.724873
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -146.135505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.135505 (E_RNA)
where:
Base-Base interactions energy: -63.597
where: short stacking energy: -52.659
Base-Backbone interact. energy: 2.188
local terms energy: -84.725936
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -136.716035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.716035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.716035 (E_RNA)
where:
Base-Base interactions energy: -57.485
where: short stacking energy: -34.354
Base-Backbone interact. energy: -0.667
local terms energy: -78.564499
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -471.368935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.368935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.368935 (E_RNA)
where:
Base-Base interactions energy: -315.587
where: short stacking energy: -138.164
Base-Backbone interact. energy: -2.111
local terms energy: -153.671398
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -43.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -451.797738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.797738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.797738 (E_RNA)
where:
Base-Base interactions energy: -296.444
where: short stacking energy: -128.088
Base-Backbone interact. energy: -0.590
local terms energy: -154.764124
where:
bonds (distance) C4'-P energy: -31.015
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -449.939554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.939554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.939554 (E_RNA)
where:
Base-Base interactions energy: -301.351
where: short stacking energy: -122.628
Base-Backbone interact. energy: -0.637
local terms energy: -147.951061
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -41.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -413.855521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.855521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.855521 (E_RNA)
where:
Base-Base interactions energy: -276.129
where: short stacking energy: -134.414
Base-Backbone interact. energy: -0.069
local terms energy: -137.657960
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -41.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -348.051658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.051658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.051658 (E_RNA)
where:
Base-Base interactions energy: -223.168
where: short stacking energy: -98.616
Base-Backbone interact. energy: -1.100
local terms energy: -123.784022
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -25.427
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: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -331.291592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.291592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.291592 (E_RNA)
where:
Base-Base interactions energy: -210.426
where: short stacking energy: -98.474
Base-Backbone interact. energy: -0.473
local terms energy: -120.392569
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -291.184569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.184569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.184569 (E_RNA)
where:
Base-Base interactions energy: -180.170
where: short stacking energy: -104.967
Base-Backbone interact. energy: -0.284
local terms energy: -110.731354
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -284.425840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.425840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.425840 (E_RNA)
where:
Base-Base interactions energy: -164.312
where: short stacking energy: -78.239
Base-Backbone interact. energy: -2.329
local terms energy: -117.784370
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -147.234096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.234096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.234096 (E_RNA)
where:
Base-Base interactions energy: -61.987
where: short stacking energy: -56.726
Base-Backbone interact. energy: 1.316
local terms energy: -86.563061
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -4.820
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: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -122.818721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.818721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.818721 (E_RNA)
where:
Base-Base interactions energy: -50.169
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.300
local terms energy: -72.349484
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: 0.896
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: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -476.993270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.993270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.993270 (E_RNA)
where:
Base-Base interactions energy: -323.762
where: short stacking energy: -136.630
Base-Backbone interact. energy: -0.136
local terms energy: -153.095155
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -32.006
flat angles C4'-P-C4' energy: -35.589
flat angles P-C4'-P energy: -18.805
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -443.675867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.675867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.675867 (E_RNA)
where:
Base-Base interactions energy: -291.711
where: short stacking energy: -125.226
Base-Backbone interact. energy: -1.037
local terms energy: -150.927498
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -452.801121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.801121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.801121 (E_RNA)
where:
Base-Base interactions energy: -301.874
where: short stacking energy: -135.446
Base-Backbone interact. energy: -0.194
local terms energy: -150.733129
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -28.830
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -46.549
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: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -406.584618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.584618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.584618 (E_RNA)
where:
Base-Base interactions energy: -262.350
where: short stacking energy: -136.386
Base-Backbone interact. energy: -0.301
local terms energy: -143.933656
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -40.907
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -347.598332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.598332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.598332 (E_RNA)
where:
Base-Base interactions energy: -226.250
where: short stacking energy: -105.896
Base-Backbone interact. energy: -0.322
local terms energy: -121.025918
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -29.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -350.086791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.086791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.086791 (E_RNA)
where:
Base-Base interactions energy: -219.755
where: short stacking energy: -106.385
Base-Backbone interact. energy: -0.040
local terms energy: -130.292226
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -8.753
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: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -266.562174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.562174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.562174 (E_RNA)
where:
Base-Base interactions energy: -144.780
where: short stacking energy: -83.962
Base-Backbone interact. energy: -0.206
local terms energy: -121.576556
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -259.323074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.323074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.323074 (E_RNA)
where:
Base-Base interactions energy: -152.024
where: short stacking energy: -75.277
Base-Backbone interact. energy: -0.564
local terms energy: -106.735266
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -143.409006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.409006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.409006 (E_RNA)
where:
Base-Base interactions energy: -62.278
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.199
local terms energy: -80.932438
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -131.894736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.894736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.894736 (E_RNA)
where:
Base-Base interactions energy: -43.899
where: short stacking energy: -38.013
Base-Backbone interact. energy: 3.076
local terms energy: -91.072359
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: 0.589
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: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -463.680492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.680492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.680492 (E_RNA)
where:
Base-Base interactions energy: -307.673
where: short stacking energy: -137.769
Base-Backbone interact. energy: -0.367
local terms energy: -155.639749
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -470.326599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.326599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.326599 (E_RNA)
where:
Base-Base interactions energy: -328.875
where: short stacking energy: -138.655
Base-Backbone interact. energy: -0.501
local terms energy: -140.950954
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -42.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -460.902513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.902513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.902513 (E_RNA)
where:
Base-Base interactions energy: -315.589
where: short stacking energy: -144.342
Base-Backbone interact. energy: -0.030
local terms energy: -145.283715
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -46.033
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: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -399.807710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.807710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.807710 (E_RNA)
where:
Base-Base interactions energy: -264.632
where: short stacking energy: -130.837
Base-Backbone interact. energy: 0.506
local terms energy: -135.681400
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -15.878
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: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -359.309107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.309107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.309107 (E_RNA)
where:
Base-Base interactions energy: -235.479
where: short stacking energy: -117.099
Base-Backbone interact. energy: 1.230
local terms energy: -125.060444
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -28.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -367.759310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.759310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.759310 (E_RNA)
where:
Base-Base interactions energy: -244.007
where: short stacking energy: -111.255
Base-Backbone interact. energy: 0.637
local terms energy: -124.389473
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -288.263044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.263044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.263044 (E_RNA)
where:
Base-Base interactions energy: -173.090
where: short stacking energy: -96.224
Base-Backbone interact. energy: -0.321
local terms energy: -114.852704
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -21.800
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: 408
Temperature: 1.250000
Total energy: -289.277400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.277400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.277400 (E_RNA)
where:
Base-Base interactions energy: -179.598
where: short stacking energy: -75.072
Base-Backbone interact. energy: 1.434
local terms energy: -111.113006
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -142.502500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.502500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.502500 (E_RNA)
where:
Base-Base interactions energy: -52.723
where: short stacking energy: -41.219
Base-Backbone interact. energy: -0.444
local terms energy: -89.335422
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: 6.050
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -138.677732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.677732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.677732 (E_RNA)
where:
Base-Base interactions energy: -59.846
where: short stacking energy: -36.627
Base-Backbone interact. energy: 2.086
local terms energy: -80.917145
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: 0.196
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: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -474.463873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.463873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.463873 (E_RNA)
where:
Base-Base interactions energy: -319.842
where: short stacking energy: -150.187
Base-Backbone interact. energy: -1.584
local terms energy: -153.038005
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -47.767
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: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -467.601744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.601744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.601744 (E_RNA)
where:
Base-Base interactions energy: -325.414
where: short stacking energy: -137.775
Base-Backbone interact. energy: -2.471
local terms energy: -139.716745
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -41.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -453.377274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.377274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.377274 (E_RNA)
where:
Base-Base interactions energy: -288.400
where: short stacking energy: -116.994
Base-Backbone interact. energy: -0.797
local terms energy: -164.180810
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -48.379
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: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -390.957787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.957787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.957787 (E_RNA)
where:
Base-Base interactions energy: -251.030
where: short stacking energy: -117.034
Base-Backbone interact. energy: 0.041
local terms energy: -139.968697
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -32.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -348.625021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.625021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.625021 (E_RNA)
where:
Base-Base interactions energy: -213.357
where: short stacking energy: -107.811
Base-Backbone interact. energy: -0.405
local terms energy: -134.863804
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -32.692
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -32.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -346.338081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.338081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.338081 (E_RNA)
where:
Base-Base interactions energy: -216.997
where: short stacking energy: -102.160
Base-Backbone interact. energy: -0.691
local terms energy: -128.649361
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -24.446
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: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -307.297200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.297200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.297200 (E_RNA)
where:
Base-Base interactions energy: -180.434
where: short stacking energy: -87.255
Base-Backbone interact. energy: 2.071
local terms energy: -128.933535
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -279.055962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.055962 (E_RNA)
where:
Base-Base interactions energy: -175.666
where: short stacking energy: -75.833
Base-Backbone interact. energy: -0.050
local terms energy: -103.340455
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -135.197926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.197926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.197926 (E_RNA)
where:
Base-Base interactions energy: -43.801
where: short stacking energy: -40.247
Base-Backbone interact. energy: -0.631
local terms energy: -90.766172
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -128.829575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.829575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.829575 (E_RNA)
where:
Base-Base interactions energy: -58.033
where: short stacking energy: -47.421
Base-Backbone interact. energy: -0.303
local terms energy: -70.493392
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: 3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -466.859785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.859785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.859785 (E_RNA)
where:
Base-Base interactions energy: -321.722
where: short stacking energy: -141.031
Base-Backbone interact. energy: -0.925
local terms energy: -144.212694
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -36.801
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: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -455.985286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.985286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.985286 (E_RNA)
where:
Base-Base interactions energy: -304.740
where: short stacking energy: -133.337
Base-Backbone interact. energy: -0.222
local terms energy: -151.023576
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -40.775
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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -406.066372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.066372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.066372 (E_RNA)
where:
Base-Base interactions energy: -262.894
where: short stacking energy: -128.780
Base-Backbone interact. energy: 1.060
local terms energy: -144.231921
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -22.337
tors. eta vs tors. theta energy: -32.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -438.192503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.192503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.192503 (E_RNA)
where:
Base-Base interactions energy: -289.913
where: short stacking energy: -130.975
Base-Backbone interact. energy: 0.623
local terms energy: -148.902539
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -40.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -343.529277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.529277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.529277 (E_RNA)
where:
Base-Base interactions energy: -216.833
where: short stacking energy: -106.058
Base-Backbone interact. energy: -0.422
local terms energy: -126.273464
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -25.311
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -366.769584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.769584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.769584 (E_RNA)
where:
Base-Base interactions energy: -241.168
where: short stacking energy: -113.283
Base-Backbone interact. energy: -0.462
local terms energy: -125.139213
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -273.936808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.936808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.936808 (E_RNA)
where:
Base-Base interactions energy: -185.635
where: short stacking energy: -74.678
Base-Backbone interact. energy: -1.771
local terms energy: -86.530754
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -10.117
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: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -271.526295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.526295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.526295 (E_RNA)
where:
Base-Base interactions energy: -162.506
where: short stacking energy: -85.686
Base-Backbone interact. energy: 1.676
local terms energy: -110.696297
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -137.052638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.052638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.052638 (E_RNA)
where:
Base-Base interactions energy: -51.105
where: short stacking energy: -32.343
Base-Backbone interact. energy: 0.203
local terms energy: -86.150718
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -28.314
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -134.610247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.610247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.610247 (E_RNA)
where:
Base-Base interactions energy: -61.087
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.324
local terms energy: -73.199331
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -472.958024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.958024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.958024 (E_RNA)
where:
Base-Base interactions energy: -330.262
where: short stacking energy: -141.252
Base-Backbone interact. energy: -0.764
local terms energy: -141.931762
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -39.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -451.850704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.850704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.850704 (E_RNA)
where:
Base-Base interactions energy: -307.606
where: short stacking energy: -136.673
Base-Backbone interact. energy: -0.412
local terms energy: -143.832647
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -42.578
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: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -414.397705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.397705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.397705 (E_RNA)
where:
Base-Base interactions energy: -266.618
where: short stacking energy: -115.022
Base-Backbone interact. energy: -0.919
local terms energy: -146.861267
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -37.085
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: 411
Temperature: 1.050000
Total energy: -422.345310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.345310 (E_RNA)
where:
Base-Base interactions energy: -277.825
where: short stacking energy: -124.890
Base-Backbone interact. energy: -0.061
local terms energy: -144.459195
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -39.830
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -352.261186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.261186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.261186 (E_RNA)
where:
Base-Base interactions energy: -231.570
where: short stacking energy: -104.146
Base-Backbone interact. energy: -1.117
local terms energy: -119.574569
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -29.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -357.553089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.553089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.553089 (E_RNA)
where:
Base-Base interactions energy: -228.561
where: short stacking energy: -111.825
Base-Backbone interact. energy: -0.066
local terms energy: -128.926461
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -35.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -265.689074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.689074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.689074 (E_RNA)
where:
Base-Base interactions energy: -160.258
where: short stacking energy: -72.755
Base-Backbone interact. energy: -1.046
local terms energy: -104.385471
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -272.357563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.357563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.357563 (E_RNA)
where:
Base-Base interactions energy: -167.713
where: short stacking energy: -88.103
Base-Backbone interact. energy: -1.243
local terms energy: -103.401373
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -0.249
tors. eta vs tors. theta energy: -26.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -131.884314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.884314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.884314 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -36.553
Base-Backbone interact. energy: -0.474
local terms energy: -86.203446
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: 3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -137.517798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.517798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.517798 (E_RNA)
where:
Base-Base interactions energy: -51.431
where: short stacking energy: -47.129
Base-Backbone interact. energy: -0.360
local terms energy: -85.726395
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -450.696534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.696534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.696534 (E_RNA)
where:
Base-Base interactions energy: -306.447
where: short stacking energy: -136.995
Base-Backbone interact. energy: -0.778
local terms energy: -143.471456
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -33.238
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -37.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -455.311841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.311841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.311841 (E_RNA)
where:
Base-Base interactions energy: -308.127
where: short stacking energy: -130.462
Base-Backbone interact. energy: 0.019
local terms energy: -147.204041
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -22.177
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: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -427.327284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.327284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.327284 (E_RNA)
where:
Base-Base interactions energy: -293.350
where: short stacking energy: -126.067
Base-Backbone interact. energy: -0.333
local terms energy: -133.643992
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -36.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -415.419820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.419820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.419820 (E_RNA)
where:
Base-Base interactions energy: -260.049
where: short stacking energy: -124.518
Base-Backbone interact. energy: -0.006
local terms energy: -155.363959
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -43.624
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: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -393.282432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.282432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.282432 (E_RNA)
where:
Base-Base interactions energy: -265.115
where: short stacking energy: -129.877
Base-Backbone interact. energy: -0.033
local terms energy: -128.134502
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -33.811
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -351.626078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.626078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.626078 (E_RNA)
where:
Base-Base interactions energy: -222.158
where: short stacking energy: -106.620
Base-Backbone interact. energy: -0.131
local terms energy: -129.337033
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -255.982890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.982890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.982890 (E_RNA)
where:
Base-Base interactions energy: -144.203
where: short stacking energy: -70.689
Base-Backbone interact. energy: 0.124
local terms energy: -111.903540
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -19.850
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: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -259.674178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.674178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.674178 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -87.625
Base-Backbone interact. energy: -0.229
local terms energy: -109.370040
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -136.663740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.663740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.663740 (E_RNA)
where:
Base-Base interactions energy: -60.034
where: short stacking energy: -51.741
Base-Backbone interact. energy: 0.030
local terms energy: -76.659185
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -148.812282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.812282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.812282 (E_RNA)
where:
Base-Base interactions energy: -57.882
where: short stacking energy: -55.222
Base-Backbone interact. energy: 0.053
local terms energy: -90.983531
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -482.332815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.332815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.332815 (E_RNA)
where:
Base-Base interactions energy: -319.506
where: short stacking energy: -140.949
Base-Backbone interact. energy: 0.288
local terms energy: -163.115446
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -45.726
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: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -460.829579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.829579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.829579 (E_RNA)
where:
Base-Base interactions energy: -310.766
where: short stacking energy: -134.311
Base-Backbone interact. energy: -1.036
local terms energy: -149.027276
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -32.193
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -36.988
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: 413
Temperature: 1.000000
Total energy: -449.909181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.909181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.909181 (E_RNA)
where:
Base-Base interactions energy: -306.979
where: short stacking energy: -139.035
Base-Backbone interact. energy: -0.456
local terms energy: -142.473989
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -45.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -412.237083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.237083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.237083 (E_RNA)
where:
Base-Base interactions energy: -255.603
where: short stacking energy: -128.818
Base-Backbone interact. energy: -1.434
local terms energy: -155.200560
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -43.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -406.361124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.361124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.361124 (E_RNA)
where:
Base-Base interactions energy: -266.166
where: short stacking energy: -130.659
Base-Backbone interact. energy: -0.158
local terms energy: -140.036988
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -39.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -353.606177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.606177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.606177 (E_RNA)
where:
Base-Base interactions energy: -225.923
where: short stacking energy: -115.669
Base-Backbone interact. energy: 1.601
local terms energy: -129.284474
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -37.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -289.564278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.564278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.564278 (E_RNA)
where:
Base-Base interactions energy: -179.182
where: short stacking energy: -95.735
Base-Backbone interact. energy: -0.172
local terms energy: -110.210165
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -242.286602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.286602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.286602 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -76.080
Base-Backbone interact. energy: -0.653
local terms energy: -86.414566
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -133.803881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.803881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.803881 (E_RNA)
where:
Base-Base interactions energy: -35.837
where: short stacking energy: -28.431
Base-Backbone interact. energy: 1.591
local terms energy: -99.558472
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -8.693
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: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -138.438849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.438849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.438849 (E_RNA)
where:
Base-Base interactions energy: -54.848
where: short stacking energy: -37.943
Base-Backbone interact. energy: -0.616
local terms energy: -82.975676
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -10.151
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -487.819095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.819095 (E_RNA)
where:
Base-Base interactions energy: -327.966
where: short stacking energy: -145.969
Base-Backbone interact. energy: -1.514
local terms energy: -158.338565
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -43.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -454.974786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.974786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.974786 (E_RNA)
where:
Base-Base interactions energy: -304.304
where: short stacking energy: -140.710
Base-Backbone interact. energy: -0.394
local terms energy: -150.276110
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -42.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -440.710247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.710247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.710247 (E_RNA)
where:
Base-Base interactions energy: -287.308
where: short stacking energy: -132.008
Base-Backbone interact. energy: -0.098
local terms energy: -153.303508
where:
bonds (distance) C4'-P energy: -26.910
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -33.056
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -401.890738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.890738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.890738 (E_RNA)
where:
Base-Base interactions energy: -259.351
where: short stacking energy: -120.373
Base-Backbone interact. energy: -1.298
local terms energy: -141.242083
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -392.930627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.930627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.930627 (E_RNA)
where:
Base-Base interactions energy: -252.970
where: short stacking energy: -126.020
Base-Backbone interact. energy: -0.073
local terms energy: -139.887595
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -35.972
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: 414
Temperature: 1.150000
Total energy: -350.168572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.168572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.168572 (E_RNA)
where:
Base-Base interactions energy: -227.709
where: short stacking energy: -108.211
Base-Backbone interact. energy: -0.694
local terms energy: -121.765825
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -271.919860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.919860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.919860 (E_RNA)
where:
Base-Base interactions energy: -149.690
where: short stacking energy: -84.896
Base-Backbone interact. energy: -0.319
local terms energy: -121.911206
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -18.998
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -257.477317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.477317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.477317 (E_RNA)
where:
Base-Base interactions energy: -164.687
where: short stacking energy: -79.457
Base-Backbone interact. energy: -0.507
local terms energy: -92.283159
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -214.289651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.289651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.289651 (E_RNA)
where:
Base-Base interactions energy: -118.796
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.269
local terms energy: -95.223848
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -8.906
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: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -133.310617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.310617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.310617 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -26.688
Base-Backbone interact. energy: 0.837
local terms energy: -98.347738
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: 1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -480.626626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.626626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.626626 (E_RNA)
where:
Base-Base interactions energy: -330.029
where: short stacking energy: -142.128
Base-Backbone interact. energy: -0.872
local terms energy: -149.725823
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -45.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -454.878203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.878203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.878203 (E_RNA)
where:
Base-Base interactions energy: -306.851
where: short stacking energy: -132.070
Base-Backbone interact. energy: -0.198
local terms energy: -147.828572
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -40.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -436.153068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.153068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.153068 (E_RNA)
where:
Base-Base interactions energy: -290.456
where: short stacking energy: -133.057
Base-Backbone interact. energy: -0.710
local terms energy: -144.986889
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -43.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -394.764302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.764302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.764302 (E_RNA)
where:
Base-Base interactions energy: -263.240
where: short stacking energy: -122.554
Base-Backbone interact. energy: -0.129
local terms energy: -131.395283
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -36.290
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: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -411.803232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.803232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.803232 (E_RNA)
where:
Base-Base interactions energy: -263.927
where: short stacking energy: -122.506
Base-Backbone interact. energy: -0.018
local terms energy: -147.857787
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -34.487
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -40.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -343.180329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.180329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.180329 (E_RNA)
where:
Base-Base interactions energy: -209.221
where: short stacking energy: -94.575
Base-Backbone interact. energy: 0.111
local terms energy: -134.070012
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -30.371
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -26.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -265.967190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.967190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.967190 (E_RNA)
where:
Base-Base interactions energy: -143.050
where: short stacking energy: -83.579
Base-Backbone interact. energy: -0.421
local terms energy: -122.496745
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -250.026469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.026469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.026469 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -73.114
Base-Backbone interact. energy: 0.471
local terms energy: -110.280350
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -11.587
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -236.953322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.953322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.953322 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -60.138
Base-Backbone interact. energy: 0.563
local terms energy: -98.421117
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -130.658313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.658313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.658313 (E_RNA)
where:
Base-Base interactions energy: -62.086
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.760
local terms energy: -67.812054
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -456.284977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.284977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.284977 (E_RNA)
where:
Base-Base interactions energy: -302.895
where: short stacking energy: -123.425
Base-Backbone interact. energy: -0.139
local terms energy: -153.251031
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -36.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -478.565055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.565055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.565055 (E_RNA)
where:
Base-Base interactions energy: -334.139
where: short stacking energy: -147.994
Base-Backbone interact. energy: -0.249
local terms energy: -144.177101
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -17.344
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: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -442.505838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.505838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.505838 (E_RNA)
where:
Base-Base interactions energy: -300.617
where: short stacking energy: -129.482
Base-Backbone interact. energy: -1.555
local terms energy: -140.334001
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -39.991
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: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -384.182681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.182681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.182681 (E_RNA)
where:
Base-Base interactions energy: -247.145
where: short stacking energy: -121.805
Base-Backbone interact. energy: 1.777
local terms energy: -138.814450
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -21.917
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: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -401.316203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.316203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.316203 (E_RNA)
where:
Base-Base interactions energy: -269.996
where: short stacking energy: -123.976
Base-Backbone interact. energy: -0.303
local terms energy: -131.017184
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -346.113606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.113606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.113606 (E_RNA)
where:
Base-Base interactions energy: -221.831
where: short stacking energy: -101.771
Base-Backbone interact. energy: -0.157
local terms energy: -124.125872
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -30.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -276.293194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.293194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.293194 (E_RNA)
where:
Base-Base interactions energy: -164.360
where: short stacking energy: -81.247
Base-Backbone interact. energy: -0.211
local terms energy: -111.723123
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -257.107128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.107128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.107128 (E_RNA)
where:
Base-Base interactions energy: -149.898
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.878
local terms energy: -106.330424
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -17.301
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: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -227.165738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.165738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.165738 (E_RNA)
where:
Base-Base interactions energy: -129.868
where: short stacking energy: -74.832
Base-Backbone interact. energy: -0.030
local terms energy: -97.267855
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -134.439500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.439500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.439500 (E_RNA)
where:
Base-Base interactions energy: -43.437
where: short stacking energy: -32.754
Base-Backbone interact. energy: 0.568
local terms energy: -91.570908
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -451.171394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.171394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.171394 (E_RNA)
where:
Base-Base interactions energy: -312.491
where: short stacking energy: -132.139
Base-Backbone interact. energy: -0.288
local terms energy: -138.391851
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -32.505
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -469.796148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.796148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.796148 (E_RNA)
where:
Base-Base interactions energy: -330.001
where: short stacking energy: -143.655
Base-Backbone interact. energy: -0.585
local terms energy: -139.210486
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -422.393167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.393167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.393167 (E_RNA)
where:
Base-Base interactions energy: -282.829
where: short stacking energy: -124.086
Base-Backbone interact. energy: -0.161
local terms energy: -139.402236
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -38.991
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: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -393.300423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.300423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.300423 (E_RNA)
where:
Base-Base interactions energy: -262.710
where: short stacking energy: -124.282
Base-Backbone interact. energy: 0.049
local terms energy: -130.639236
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -392.834176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.834176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.834176 (E_RNA)
where:
Base-Base interactions energy: -265.014
where: short stacking energy: -133.959
Base-Backbone interact. energy: 0.321
local terms energy: -128.141525
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -40.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -347.042457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.042457 (E_RNA)
where:
Base-Base interactions energy: -227.568
where: short stacking energy: -107.374
Base-Backbone interact. energy: -0.013
local terms energy: -119.461705
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -257.987849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.987849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.987849 (E_RNA)
where:
Base-Base interactions energy: -154.164
where: short stacking energy: -73.239
Base-Backbone interact. energy: 0.783
local terms energy: -104.606448
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -277.612018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.612018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.612018 (E_RNA)
where:
Base-Base interactions energy: -168.741
where: short stacking energy: -79.226
Base-Backbone interact. energy: 0.317
local terms energy: -109.188636
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -217.550264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.550264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.550264 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -73.577
Base-Backbone interact. energy: -0.091
local terms energy: -81.004275
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -2.402
tors. eta vs tors. theta energy: -4.161
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: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -131.246624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.246624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.246624 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -25.280
Base-Backbone interact. energy: -0.845
local terms energy: -85.762262
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -475.167494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.167494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.167494 (E_RNA)
where:
Base-Base interactions energy: -322.241
where: short stacking energy: -143.065
Base-Backbone interact. energy: -1.414
local terms energy: -151.511711
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -43.961
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: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -446.760778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.760778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.760778 (E_RNA)
where:
Base-Base interactions energy: -302.275
where: short stacking energy: -129.382
Base-Backbone interact. energy: -0.641
local terms energy: -143.845323
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -34.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -446.264384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.264384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.264384 (E_RNA)
where:
Base-Base interactions energy: -304.474
where: short stacking energy: -135.747
Base-Backbone interact. energy: -0.160
local terms energy: -141.631055
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -42.227
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: 418
Temperature: 1.050000
Total energy: -397.514470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.514470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.514470 (E_RNA)
where:
Base-Base interactions energy: -264.437
where: short stacking energy: -126.407
Base-Backbone interact. energy: -0.065
local terms energy: -133.012962
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -33.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -397.096612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.096612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.096612 (E_RNA)
where:
Base-Base interactions energy: -252.382
where: short stacking energy: -119.776
Base-Backbone interact. energy: -1.783
local terms energy: -142.932030
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -357.691362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.691362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.691362 (E_RNA)
where:
Base-Base interactions energy: -234.702
where: short stacking energy: -106.604
Base-Backbone interact. energy: -0.365
local terms energy: -122.625069
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -24.916
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: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -265.886254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.886254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.886254 (E_RNA)
where:
Base-Base interactions energy: -152.103
where: short stacking energy: -76.566
Base-Backbone interact. energy: -0.144
local terms energy: -113.639656
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -33.230
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -250.818423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.818423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.818423 (E_RNA)
where:
Base-Base interactions energy: -144.369
where: short stacking energy: -72.504
Base-Backbone interact. energy: 1.660
local terms energy: -108.109885
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -22.384
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: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -217.162277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162277 (E_RNA)
where:
Base-Base interactions energy: -126.445
where: short stacking energy: -73.873
Base-Backbone interact. energy: -1.044
local terms energy: -89.673488
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -9.307
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: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -132.956600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.956600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.956600 (E_RNA)
where:
Base-Base interactions energy: -44.278
where: short stacking energy: -37.801
Base-Backbone interact. energy: 2.303
local terms energy: -90.981115
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -486.926188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.926188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.926188 (E_RNA)
where:
Base-Base interactions energy: -337.062
where: short stacking energy: -147.632
Base-Backbone interact. energy: -0.927
local terms energy: -148.936686
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -30.738
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -41.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -443.067712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.067712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.067712 (E_RNA)
where:
Base-Base interactions energy: -298.687
where: short stacking energy: -123.705
Base-Backbone interact. energy: -0.628
local terms energy: -143.752291
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -39.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -445.055387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.055387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.055387 (E_RNA)
where:
Base-Base interactions energy: -289.621
where: short stacking energy: -130.526
Base-Backbone interact. energy: -0.866
local terms energy: -154.569074
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -32.459
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -35.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -413.369500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.369500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.369500 (E_RNA)
where:
Base-Base interactions energy: -263.403
where: short stacking energy: -116.250
Base-Backbone interact. energy: -1.235
local terms energy: -148.731262
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -36.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -401.478922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.478922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.478922 (E_RNA)
where:
Base-Base interactions energy: -267.280
where: short stacking energy: -131.598
Base-Backbone interact. energy: -0.113
local terms energy: -134.085957
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -344.581312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.581312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.581312 (E_RNA)
where:
Base-Base interactions energy: -214.811
where: short stacking energy: -112.151
Base-Backbone interact. energy: 0.692
local terms energy: -130.462694
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -33.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -288.986827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.986827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.986827 (E_RNA)
where:
Base-Base interactions energy: -190.952
where: short stacking energy: -87.598
Base-Backbone interact. energy: 0.385
local terms energy: -98.419770
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -30.397
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -254.466074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.466074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.466074 (E_RNA)
where:
Base-Base interactions energy: -149.869
where: short stacking energy: -70.087
Base-Backbone interact. energy: -0.153
local terms energy: -104.444331
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -229.847990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847990 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -60.623
Base-Backbone interact. energy: 2.045
local terms energy: -90.121141
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -18.285
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: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -126.218998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.218998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.218998 (E_RNA)
where:
Base-Base interactions energy: -42.598
where: short stacking energy: -23.397
Base-Backbone interact. energy: 1.162
local terms energy: -84.783023
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: 5.259
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -455.113841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.113841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.113841 (E_RNA)
where:
Base-Base interactions energy: -298.955
where: short stacking energy: -136.400
Base-Backbone interact. energy: -0.014
local terms energy: -156.145019
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -46.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -461.504694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.504694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.504694 (E_RNA)
where:
Base-Base interactions energy: -306.252
where: short stacking energy: -126.069
Base-Backbone interact. energy: -1.064
local terms energy: -154.189138
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -21.396
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -428.675576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.675576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.675576 (E_RNA)
where:
Base-Base interactions energy: -277.838
where: short stacking energy: -137.744
Base-Backbone interact. energy: -0.939
local terms energy: -149.898263
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -42.037
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: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -427.069095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.069095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.069095 (E_RNA)
where:
Base-Base interactions energy: -279.483
where: short stacking energy: -119.400
Base-Backbone interact. energy: -0.484
local terms energy: -147.101872
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -29.439
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -22.865
tors. eta vs tors. theta energy: -33.907
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: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -404.171863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.171863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.171863 (E_RNA)
where:
Base-Base interactions energy: -262.955
where: short stacking energy: -127.053
Base-Backbone interact. energy: 0.144
local terms energy: -141.360374
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -32.770
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -35.211
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: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -334.234204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.234204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.234204 (E_RNA)
where:
Base-Base interactions energy: -212.467
where: short stacking energy: -96.280
Base-Backbone interact. energy: -0.549
local terms energy: -121.218048
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -17.870
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: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -260.693057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.693057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.693057 (E_RNA)
where:
Base-Base interactions energy: -158.081
where: short stacking energy: -79.984
Base-Backbone interact. energy: 0.113
local terms energy: -102.725119
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -11.424
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: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -265.329819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.329819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.329819 (E_RNA)
where:
Base-Base interactions energy: -154.726
where: short stacking energy: -70.327
Base-Backbone interact. energy: 0.298
local terms energy: -110.901962
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -12.990
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: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -233.910376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.910376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.910376 (E_RNA)
where:
Base-Base interactions energy: -128.033
where: short stacking energy: -70.096
Base-Backbone interact. energy: -0.375
local terms energy: -105.502876
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -128.249955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.249955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.249955 (E_RNA)
where:
Base-Base interactions energy: -55.705
where: short stacking energy: -32.077
Base-Backbone interact. energy: 1.161
local terms energy: -73.706046
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -31.228
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: 2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -464.646642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.646642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.646642 (E_RNA)
where:
Base-Base interactions energy: -307.764
where: short stacking energy: -142.346
Base-Backbone interact. energy: -0.056
local terms energy: -156.826897
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -45.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -464.793401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.793401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.793401 (E_RNA)
where:
Base-Base interactions energy: -314.726
where: short stacking energy: -140.197
Base-Backbone interact. energy: 0.683
local terms energy: -150.750885
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -40.517
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: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -418.481194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.481194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.481194 (E_RNA)
where:
Base-Base interactions energy: -266.272
where: short stacking energy: -130.624
Base-Backbone interact. energy: -0.197
local terms energy: -152.012488
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -25.531
tors. eta vs tors. theta energy: -41.232
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: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -428.248614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.248614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.248614 (E_RNA)
where:
Base-Base interactions energy: -291.042
where: short stacking energy: -123.811
Base-Backbone interact. energy: -0.233
local terms energy: -136.973292
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -387.079349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.079349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.079349 (E_RNA)
where:
Base-Base interactions energy: -245.245
where: short stacking energy: -117.577
Base-Backbone interact. energy: -0.275
local terms energy: -141.558881
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -36.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -334.877972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.877972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.877972 (E_RNA)
where:
Base-Base interactions energy: -221.535
where: short stacking energy: -108.201
Base-Backbone interact. energy: -0.014
local terms energy: -113.329957
where:
bonds (distance) C4'-P energy: -28.523
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -264.443223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.443223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.443223 (E_RNA)
where:
Base-Base interactions energy: -150.541
where: short stacking energy: -81.603
Base-Backbone interact. energy: -0.118
local terms energy: -113.783328
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -277.498587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.498587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.498587 (E_RNA)
where:
Base-Base interactions energy: -151.686
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.083
local terms energy: -125.729368
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -22.188
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: 421
Temperature: 1.300000
Total energy: -236.000446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.000446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.000446 (E_RNA)
where:
Base-Base interactions energy: -136.326
where: short stacking energy: -77.074
Base-Backbone interact. energy: -0.294
local terms energy: -99.380050
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -137.211071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.211071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.211071 (E_RNA)
where:
Base-Base interactions energy: -55.196
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.912
local terms energy: -81.102873
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -467.671519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.671519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.671519 (E_RNA)
where:
Base-Base interactions energy: -315.669
where: short stacking energy: -140.353
Base-Backbone interact. energy: -0.013
local terms energy: -151.989466
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -44.952
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: 422
Temperature: 0.950000
Total energy: -472.103299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.103299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.103299 (E_RNA)
where:
Base-Base interactions energy: -322.634
where: short stacking energy: -148.189
Base-Backbone interact. energy: -0.561
local terms energy: -148.908335
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -434.454378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.454378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.454378 (E_RNA)
where:
Base-Base interactions energy: -291.119
where: short stacking energy: -120.704
Base-Backbone interact. energy: 1.411
local terms energy: -144.747019
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -22.256
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: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -425.504287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.504287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.504287 (E_RNA)
where:
Base-Base interactions energy: -282.604
where: short stacking energy: -145.636
Base-Backbone interact. energy: -0.379
local terms energy: -142.521557
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -20.902
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: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -396.303209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.303209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.303209 (E_RNA)
where:
Base-Base interactions energy: -263.202
where: short stacking energy: -125.455
Base-Backbone interact. energy: -0.671
local terms energy: -132.430086
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -20.485
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: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -350.792671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.792671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.792671 (E_RNA)
where:
Base-Base interactions energy: -228.096
where: short stacking energy: -105.036
Base-Backbone interact. energy: -0.661
local terms energy: -122.035931
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -278.577997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.577997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.577997 (E_RNA)
where:
Base-Base interactions energy: -152.662
where: short stacking energy: -86.053
Base-Backbone interact. energy: -1.066
local terms energy: -124.850198
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -24.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -262.304142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.304142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.304142 (E_RNA)
where:
Base-Base interactions energy: -159.958
where: short stacking energy: -80.266
Base-Backbone interact. energy: 0.287
local terms energy: -102.633085
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -10.689
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: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -250.793107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.793107 (E_RNA)
where:
Base-Base interactions energy: -145.010
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.631
local terms energy: -105.151909
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -7.339
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: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -129.815529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.815529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.815529 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -26.722
Base-Backbone interact. energy: -1.607
local terms energy: -85.613736
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: 5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -467.729488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.729488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.729488 (E_RNA)
where:
Base-Base interactions energy: -321.112
where: short stacking energy: -140.356
Base-Backbone interact. energy: -0.298
local terms energy: -146.318825
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -40.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -465.955098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.955098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.955098 (E_RNA)
where:
Base-Base interactions energy: -318.604
where: short stacking energy: -130.052
Base-Backbone interact. energy: -1.202
local terms energy: -146.149023
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -29.458
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -42.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -417.526892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.526892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.526892 (E_RNA)
where:
Base-Base interactions energy: -268.295
where: short stacking energy: -123.816
Base-Backbone interact. energy: -0.303
local terms energy: -148.928665
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -27.063
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: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -403.124051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.124051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.124051 (E_RNA)
where:
Base-Base interactions energy: -269.678
where: short stacking energy: -128.267
Base-Backbone interact. energy: -0.625
local terms energy: -132.821630
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -36.244
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: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -362.257967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.257967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.257967 (E_RNA)
where:
Base-Base interactions energy: -239.157
where: short stacking energy: -107.841
Base-Backbone interact. energy: -0.186
local terms energy: -122.915720
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -31.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -351.542750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.542750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.542750 (E_RNA)
where:
Base-Base interactions energy: -227.027
where: short stacking energy: -107.847
Base-Backbone interact. energy: -0.667
local terms energy: -123.848965
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -257.745023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.745023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.745023 (E_RNA)
where:
Base-Base interactions energy: -139.467
where: short stacking energy: -72.462
Base-Backbone interact. energy: -0.819
local terms energy: -117.459165
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -32.573
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -14.774
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: 423
Temperature: 1.250000
Total energy: -205.202631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.202631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.202631 (E_RNA)
where:
Base-Base interactions energy: -102.734
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.601
local terms energy: -101.867237
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -8.081
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: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -257.221716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.221716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.221716 (E_RNA)
where:
Base-Base interactions energy: -145.752
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.049
local terms energy: -111.421110
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -12.489
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: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -145.145209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.145209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.145209 (E_RNA)
where:
Base-Base interactions energy: -58.429
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.369
local terms energy: -86.346470
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -477.711206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.711206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.711206 (E_RNA)
where:
Base-Base interactions energy: -329.097
where: short stacking energy: -137.416
Base-Backbone interact. energy: -0.522
local terms energy: -148.091712
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -18.989
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: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -470.624644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.624644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.624644 (E_RNA)
where:
Base-Base interactions energy: -304.775
where: short stacking energy: -129.899
Base-Backbone interact. energy: -2.221
local terms energy: -163.628784
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -21.692
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -421.299721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.299721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.299721 (E_RNA)
where:
Base-Base interactions energy: -287.294
where: short stacking energy: -123.062
Base-Backbone interact. energy: -1.018
local terms energy: -132.987337
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -21.752
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: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -432.989139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.989139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.989139 (E_RNA)
where:
Base-Base interactions energy: -295.540
where: short stacking energy: -134.121
Base-Backbone interact. energy: -0.426
local terms energy: -137.022761
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -29.718
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -37.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -358.254354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.254354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.254354 (E_RNA)
where:
Base-Base interactions energy: -220.176
where: short stacking energy: -109.866
Base-Backbone interact. energy: 0.358
local terms energy: -138.435893
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -31.940
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -27.578
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: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -354.902382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.902382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.902382 (E_RNA)
where:
Base-Base interactions energy: -221.095
where: short stacking energy: -113.829
Base-Backbone interact. energy: -0.484
local terms energy: -133.323590
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -33.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -261.444246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.444246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.444246 (E_RNA)
where:
Base-Base interactions energy: -153.496
where: short stacking energy: -79.959
Base-Backbone interact. energy: -0.073
local terms energy: -107.875824
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -14.855
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: 424
Temperature: 1.250000
Total energy: -203.026601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.026601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.026601 (E_RNA)
where:
Base-Base interactions energy: -89.228
where: short stacking energy: -57.336
Base-Backbone interact. energy: 0.436
local terms energy: -114.235081
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -250.843522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.843522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.843522 (E_RNA)
where:
Base-Base interactions energy: -145.830
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.076
local terms energy: -104.936817
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -140.244555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.244555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.244555 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.546
local terms energy: -100.623277
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -471.610724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.610724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.610724 (E_RNA)
where:
Base-Base interactions energy: -324.657
where: short stacking energy: -140.397
Base-Backbone interact. energy: 0.055
local terms energy: -147.009215
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -481.097650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.097650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.097650 (E_RNA)
where:
Base-Base interactions energy: -328.393
where: short stacking energy: -141.329
Base-Backbone interact. energy: -1.286
local terms energy: -151.418719
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -41.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -424.727557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.727557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.727557 (E_RNA)
where:
Base-Base interactions energy: -278.537
where: short stacking energy: -137.485
Base-Backbone interact. energy: -0.551
local terms energy: -145.639471
where:
bonds (distance) C4'-P energy: -31.818
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -37.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -405.164738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.164738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.164738 (E_RNA)
where:
Base-Base interactions energy: -277.589
where: short stacking energy: -124.733
Base-Backbone interact. energy: -0.763
local terms energy: -126.812838
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -31.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -360.459944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.459944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.459944 (E_RNA)
where:
Base-Base interactions energy: -227.018
where: short stacking energy: -113.173
Base-Backbone interact. energy: -0.284
local terms energy: -133.158674
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -33.956
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: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -333.826563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.826563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.826563 (E_RNA)
where:
Base-Base interactions energy: -217.178
where: short stacking energy: -105.579
Base-Backbone interact. energy: -0.245
local terms energy: -116.403281
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -28.218
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: 425
Temperature: 1.200000
Total energy: -282.364778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.364778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.364778 (E_RNA)
where:
Base-Base interactions energy: -167.633
where: short stacking energy: -85.321
Base-Backbone interact. energy: -1.007
local terms energy: -113.724836
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -23.275
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: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -270.438904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.438904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.438904 (E_RNA)
where:
Base-Base interactions energy: -164.894
where: short stacking energy: -58.196
Base-Backbone interact. energy: 0.620
local terms energy: -106.165331
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -15.951
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: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -204.613440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.613440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.613440 (E_RNA)
where:
Base-Base interactions energy: -106.306
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.931
local terms energy: -97.376314
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -136.314992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.314992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.314992 (E_RNA)
where:
Base-Base interactions energy: -45.963
where: short stacking energy: -41.494
Base-Backbone interact. energy: 0.793
local terms energy: -91.144481
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -483.751396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.751396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.751396 (E_RNA)
where:
Base-Base interactions energy: -324.504
where: short stacking energy: -146.993
Base-Backbone interact. energy: -1.044
local terms energy: -158.203623
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -21.038
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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -466.234927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.234927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.234927 (E_RNA)
where:
Base-Base interactions energy: -318.545
where: short stacking energy: -132.416
Base-Backbone interact. energy: -0.705
local terms energy: -146.985424
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -43.580
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: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -437.634750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.634750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.634750 (E_RNA)
where:
Base-Base interactions energy: -297.509
where: short stacking energy: -127.554
Base-Backbone interact. energy: -1.523
local terms energy: -138.602050
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -33.623
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -32.600
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: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -380.965844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.965844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.965844 (E_RNA)
where:
Base-Base interactions energy: -234.629
where: short stacking energy: -111.618
Base-Backbone interact. energy: -0.159
local terms energy: -146.177726
where:
bonds (distance) C4'-P energy: -33.076
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -17.423
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: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -355.252088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.252088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.252088 (E_RNA)
where:
Base-Base interactions energy: -220.364
where: short stacking energy: -97.504
Base-Backbone interact. energy: 1.785
local terms energy: -136.673026
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -339.527251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.527251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.527251 (E_RNA)
where:
Base-Base interactions energy: -212.140
where: short stacking energy: -99.223
Base-Backbone interact. energy: -0.135
local terms energy: -127.251910
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: -29.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -267.758675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.758675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.758675 (E_RNA)
where:
Base-Base interactions energy: -165.579
where: short stacking energy: -80.514
Base-Backbone interact. energy: -0.139
local terms energy: -102.040144
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -245.590579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.590579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.590579 (E_RNA)
where:
Base-Base interactions energy: -144.218
where: short stacking energy: -62.441
Base-Backbone interact. energy: 0.394
local terms energy: -101.766280
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -188.389506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.389506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.389506 (E_RNA)
where:
Base-Base interactions energy: -109.487
where: short stacking energy: -58.740
Base-Backbone interact. energy: -1.352
local terms energy: -77.549965
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -140.886657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.886657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.886657 (E_RNA)
where:
Base-Base interactions energy: -66.055
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.451
local terms energy: -74.380021
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: 6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -474.089669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.089669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.089669 (E_RNA)
where:
Base-Base interactions energy: -325.571
where: short stacking energy: -147.005
Base-Backbone interact. energy: -0.793
local terms energy: -147.725333
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -42.524
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: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -463.850069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.850069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.850069 (E_RNA)
where:
Base-Base interactions energy: -312.270
where: short stacking energy: -129.024
Base-Backbone interact. energy: -0.057
local terms energy: -151.522613
where:
bonds (distance) C4'-P energy: -28.431
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -43.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -454.816114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.816114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.816114 (E_RNA)
where:
Base-Base interactions energy: -306.411
where: short stacking energy: -130.814
Base-Backbone interact. energy: -0.430
local terms energy: -147.975841
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -42.734
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: 427
Temperature: 1.050000
Total energy: -390.947111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.947111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.947111 (E_RNA)
where:
Base-Base interactions energy: -242.346
where: short stacking energy: -116.858
Base-Backbone interact. energy: -0.044
local terms energy: -148.557478
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -35.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -361.014792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.014792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.014792 (E_RNA)
where:
Base-Base interactions energy: -222.958
where: short stacking energy: -113.239
Base-Backbone interact. energy: -0.258
local terms energy: -137.798967
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -31.232
flat angles C4'-P-C4' energy: -30.639
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -370.478030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.478030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.478030 (E_RNA)
where:
Base-Base interactions energy: -231.147
where: short stacking energy: -109.267
Base-Backbone interact. energy: -1.172
local terms energy: -138.159435
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -25.113
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: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -265.819600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.819600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.819600 (E_RNA)
where:
Base-Base interactions energy: -152.416
where: short stacking energy: -78.420
Base-Backbone interact. energy: -1.017
local terms energy: -112.386965
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -19.106
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: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -245.218535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.218535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.218535 (E_RNA)
where:
Base-Base interactions energy: -136.474
where: short stacking energy: -67.686
Base-Backbone interact. energy: 0.379
local terms energy: -109.123744
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -247.615362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.615362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.615362 (E_RNA)
where:
Base-Base interactions energy: -142.190
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.463
local terms energy: -104.962496
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -144.759174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.759174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.759174 (E_RNA)
where:
Base-Base interactions energy: -76.914
where: short stacking energy: -33.753
Base-Backbone interact. energy: 1.453
local terms energy: -69.297518
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -474.084412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.084412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.084412 (E_RNA)
where:
Base-Base interactions energy: -325.654
where: short stacking energy: -144.299
Base-Backbone interact. energy: -1.115
local terms energy: -147.315984
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -40.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -467.920372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.920372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.920372 (E_RNA)
where:
Base-Base interactions energy: -314.885
where: short stacking energy: -135.548
Base-Backbone interact. energy: -0.802
local terms energy: -152.233886
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -44.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -444.080429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.080429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.080429 (E_RNA)
where:
Base-Base interactions energy: -303.826
where: short stacking energy: -129.476
Base-Backbone interact. energy: -1.326
local terms energy: -138.928711
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -38.060
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: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -413.656057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.656057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.656057 (E_RNA)
where:
Base-Base interactions energy: -266.924
where: short stacking energy: -120.995
Base-Backbone interact. energy: -0.203
local terms energy: -146.529334
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -25.298
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -37.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -385.677491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.677491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.677491 (E_RNA)
where:
Base-Base interactions energy: -258.566
where: short stacking energy: -125.774
Base-Backbone interact. energy: -0.378
local terms energy: -126.733502
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -36.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -350.106984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.106984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.106984 (E_RNA)
where:
Base-Base interactions energy: -215.766
where: short stacking energy: -109.131
Base-Backbone interact. energy: -0.099
local terms energy: -134.242360
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -32.193
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: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -273.631831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.631831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.631831 (E_RNA)
where:
Base-Base interactions energy: -160.962
where: short stacking energy: -76.484
Base-Backbone interact. energy: -0.379
local terms energy: -112.290422
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -14.904
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: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -244.710946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.710946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.710946 (E_RNA)
where:
Base-Base interactions energy: -137.924
where: short stacking energy: -71.899
Base-Backbone interact. energy: 0.265
local terms energy: -107.051794
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -251.366557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.366557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.366557 (E_RNA)
where:
Base-Base interactions energy: -147.546
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.370
local terms energy: -103.450928
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -137.669710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.669710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.669710 (E_RNA)
where:
Base-Base interactions energy: -69.249
where: short stacking energy: -52.003
Base-Backbone interact. energy: -0.356
local terms energy: -68.065405
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -469.720095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.720095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.720095 (E_RNA)
where:
Base-Base interactions energy: -313.198
where: short stacking energy: -139.078
Base-Backbone interact. energy: -1.878
local terms energy: -154.644745
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -44.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -452.806802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.806802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.806802 (E_RNA)
where:
Base-Base interactions energy: -318.704
where: short stacking energy: -130.486
Base-Backbone interact. energy: 1.304
local terms energy: -135.406822
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -39.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -439.131546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.131546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.131546 (E_RNA)
where:
Base-Base interactions energy: -279.718
where: short stacking energy: -122.120
Base-Backbone interact. energy: 0.056
local terms energy: -159.469860
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -44.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -399.891332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.891332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.891332 (E_RNA)
where:
Base-Base interactions energy: -253.055
where: short stacking energy: -122.864
Base-Backbone interact. energy: -0.480
local terms energy: -146.355814
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -37.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -413.014245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.014245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.014245 (E_RNA)
where:
Base-Base interactions energy: -269.717
where: short stacking energy: -127.622
Base-Backbone interact. energy: -0.165
local terms energy: -143.132305
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -39.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -365.293992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.293992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.293992 (E_RNA)
where:
Base-Base interactions energy: -243.884
where: short stacking energy: -127.787
Base-Backbone interact. energy: -0.473
local terms energy: -120.936334
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -269.349095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.349095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.349095 (E_RNA)
where:
Base-Base interactions energy: -162.555
where: short stacking energy: -81.212
Base-Backbone interact. energy: 0.065
local terms energy: -106.858641
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -272.583834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.583834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.583834 (E_RNA)
where:
Base-Base interactions energy: -171.316
where: short stacking energy: -75.072
Base-Backbone interact. energy: -1.098
local terms energy: -100.169497
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -224.733808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.733808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.733808 (E_RNA)
where:
Base-Base interactions energy: -133.954
where: short stacking energy: -78.817
Base-Backbone interact. energy: -0.388
local terms energy: -90.391975
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -10.096
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: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -137.526568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.526568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.526568 (E_RNA)
where:
Base-Base interactions energy: -62.537
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.562
local terms energy: -74.427674
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: 10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -484.021774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.021774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.021774 (E_RNA)
where:
Base-Base interactions energy: -324.930
where: short stacking energy: -136.256
Base-Backbone interact. energy: -1.318
local terms energy: -157.774609
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -45.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -461.946506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.946506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.946506 (E_RNA)
where:
Base-Base interactions energy: -310.230
where: short stacking energy: -138.891
Base-Backbone interact. energy: -1.534
local terms energy: -150.182924
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -33.668
flat angles P-C4'-P energy: -19.310
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -408.161978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.161978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.161978 (E_RNA)
where:
Base-Base interactions energy: -274.126
where: short stacking energy: -142.329
Base-Backbone interact. energy: -0.066
local terms energy: -133.970090
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -29.877
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -16.232
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: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -410.759516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.759516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.759516 (E_RNA)
where:
Base-Base interactions energy: -259.974
where: short stacking energy: -131.299
Base-Backbone interact. energy: -0.462
local terms energy: -150.323157
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -36.471
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -395.818142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.818142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.818142 (E_RNA)
where:
Base-Base interactions energy: -261.187
where: short stacking energy: -115.026
Base-Backbone interact. energy: -1.210
local terms energy: -133.420429
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -37.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -357.700943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.700943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.700943 (E_RNA)
where:
Base-Base interactions energy: -238.772
where: short stacking energy: -116.501
Base-Backbone interact. energy: -0.193
local terms energy: -118.735395
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -263.768849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.768849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.768849 (E_RNA)
where:
Base-Base interactions energy: -161.674
where: short stacking energy: -86.209
Base-Backbone interact. energy: -0.346
local terms energy: -101.748441
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -17.074
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: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -250.466293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.466293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.466293 (E_RNA)
where:
Base-Base interactions energy: -143.707
where: short stacking energy: -70.605
Base-Backbone interact. energy: -1.146
local terms energy: -105.613665
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -14.258
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: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -239.007060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.007060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.007060 (E_RNA)
where:
Base-Base interactions energy: -142.043
where: short stacking energy: -61.741
Base-Backbone interact. energy: -1.006
local terms energy: -95.958249
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -145.657047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.657047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.657047 (E_RNA)
where:
Base-Base interactions energy: -61.420
where: short stacking energy: -43.285
Base-Backbone interact. energy: -1.526
local terms energy: -82.711258
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -1.693
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: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -475.686509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.686509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.686509 (E_RNA)
where:
Base-Base interactions energy: -317.340
where: short stacking energy: -129.858
Base-Backbone interact. energy: -1.133
local terms energy: -157.214266
where:
bonds (distance) C4'-P energy: -30.058
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -44.720
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: 431
Temperature: 0.950000
Total energy: -479.742705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.742705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.742705 (E_RNA)
where:
Base-Base interactions energy: -325.788
where: short stacking energy: -135.558
Base-Backbone interact. energy: -1.006
local terms energy: -152.948618
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -38.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -397.913341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.913341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.913341 (E_RNA)
where:
Base-Base interactions energy: -247.528
where: short stacking energy: -123.796
Base-Backbone interact. energy: -0.108
local terms energy: -150.277533
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: -44.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -414.554321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.554321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.554321 (E_RNA)
where:
Base-Base interactions energy: -268.757
where: short stacking energy: -128.992
Base-Backbone interact. energy: -0.282
local terms energy: -145.515349
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -37.927
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: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -405.730585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.730585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.730585 (E_RNA)
where:
Base-Base interactions energy: -265.265
where: short stacking energy: -107.455
Base-Backbone interact. energy: -0.076
local terms energy: -140.388844
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -304.669034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.669034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.669034 (E_RNA)
where:
Base-Base interactions energy: -181.692
where: short stacking energy: -79.505
Base-Backbone interact. energy: -1.704
local terms energy: -121.272959
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -17.863
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: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -301.013942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.013942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.013942 (E_RNA)
where:
Base-Base interactions energy: -190.838
where: short stacking energy: -91.442
Base-Backbone interact. energy: 1.606
local terms energy: -111.781461
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -273.451942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.451942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.451942 (E_RNA)
where:
Base-Base interactions energy: -166.886
where: short stacking energy: -69.562
Base-Backbone interact. energy: 2.431
local terms energy: -108.996968
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -203.682842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.682842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.682842 (E_RNA)
where:
Base-Base interactions energy: -108.069
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.768
local terms energy: -94.846369
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -126.627496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.627496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.627496 (E_RNA)
where:
Base-Base interactions energy: -47.134
where: short stacking energy: -28.577
Base-Backbone interact. energy: 1.875
local terms energy: -81.368745
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -480.697019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.697019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.697019 (E_RNA)
where:
Base-Base interactions energy: -325.731
where: short stacking energy: -141.973
Base-Backbone interact. energy: -0.764
local terms energy: -154.202556
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -41.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -482.271354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.271354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.271354 (E_RNA)
where:
Base-Base interactions energy: -329.827
where: short stacking energy: -149.546
Base-Backbone interact. energy: -1.062
local terms energy: -151.381875
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -45.860
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: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -434.379826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.379826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.379826 (E_RNA)
where:
Base-Base interactions energy: -269.303
where: short stacking energy: -120.462
Base-Backbone interact. energy: -0.086
local terms energy: -164.990441
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -33.831
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -43.551
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: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -389.187377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.187377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.187377 (E_RNA)
where:
Base-Base interactions energy: -240.981
where: short stacking energy: -125.096
Base-Backbone interact. energy: -0.152
local terms energy: -148.054551
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -43.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -397.104133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.104133 (E_RNA)
where:
Base-Base interactions energy: -261.186
where: short stacking energy: -114.131
Base-Backbone interact. energy: -0.484
local terms energy: -135.434614
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -24.037
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -38.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -305.256609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.256609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.256609 (E_RNA)
where:
Base-Base interactions energy: -196.811
where: short stacking energy: -85.102
Base-Backbone interact. energy: -0.284
local terms energy: -108.161932
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -15.689
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: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -275.420162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.420162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.420162 (E_RNA)
where:
Base-Base interactions energy: -154.572
where: short stacking energy: -81.118
Base-Backbone interact. energy: -0.272
local terms energy: -120.576655
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -26.312
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: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -293.780426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.780426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.780426 (E_RNA)
where:
Base-Base interactions energy: -190.216
where: short stacking energy: -89.758
Base-Backbone interact. energy: -0.121
local terms energy: -103.442965
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -21.234
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: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -150.863775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.863775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.863775 (E_RNA)
where:
Base-Base interactions energy: -50.139
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.856
local terms energy: -99.868667
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -218.629228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.629228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.629228 (E_RNA)
where:
Base-Base interactions energy: -116.504
where: short stacking energy: -60.368
Base-Backbone interact. energy: -2.602
local terms energy: -99.522551
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -481.694469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.694469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.694469 (E_RNA)
where:
Base-Base interactions energy: -326.612
where: short stacking energy: -141.920
Base-Backbone interact. energy: 0.032
local terms energy: -155.114549
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -43.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -484.214516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.214516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.214516 (E_RNA)
where:
Base-Base interactions energy: -333.347
where: short stacking energy: -143.967
Base-Backbone interact. energy: -2.393
local terms energy: -148.473755
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -431.304889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.304889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.304889 (E_RNA)
where:
Base-Base interactions energy: -289.640
where: short stacking energy: -130.356
Base-Backbone interact. energy: -0.314
local terms energy: -141.350482
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -18.510
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: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -439.223996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.223996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.223996 (E_RNA)
where:
Base-Base interactions energy: -296.817
where: short stacking energy: -126.484
Base-Backbone interact. energy: -0.624
local terms energy: -141.782926
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -400.561591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.561591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.561591 (E_RNA)
where:
Base-Base interactions energy: -255.402
where: short stacking energy: -125.852
Base-Backbone interact. energy: -0.433
local terms energy: -144.726344
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -36.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -284.500667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.500667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.500667 (E_RNA)
where:
Base-Base interactions energy: -177.790
where: short stacking energy: -72.437
Base-Backbone interact. energy: -1.265
local terms energy: -105.446165
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -274.491644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.491644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.491644 (E_RNA)
where:
Base-Base interactions energy: -167.889
where: short stacking energy: -85.303
Base-Backbone interact. energy: 0.219
local terms energy: -106.821600
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -299.219071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.219071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.219071 (E_RNA)
where:
Base-Base interactions energy: -186.665
where: short stacking energy: -76.845
Base-Backbone interact. energy: -1.749
local terms energy: -110.805505
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -25.622
flat angles P-C4'-P energy: -20.426
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -146.129845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.129845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.129845 (E_RNA)
where:
Base-Base interactions energy: -61.300
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.231
local terms energy: -84.598171
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -7.657
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: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -172.902547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.902547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.902547 (E_RNA)
where:
Base-Base interactions energy: -80.030
where: short stacking energy: -41.235
Base-Backbone interact. energy: -1.336
local terms energy: -91.536427
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -503.632608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.632608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.632608 (E_RNA)
where:
Base-Base interactions energy: -333.044
where: short stacking energy: -141.172
Base-Backbone interact. energy: -0.829
local terms energy: -169.760162
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -466.848618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.848618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.848618 (E_RNA)
where:
Base-Base interactions energy: -315.919
where: short stacking energy: -135.663
Base-Backbone interact. energy: -0.576
local terms energy: -150.354309
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -37.659
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: 434
Temperature: 1.000000
Total energy: -444.655710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.655710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.655710 (E_RNA)
where:
Base-Base interactions energy: -299.894
where: short stacking energy: -135.512
Base-Backbone interact. energy: -0.572
local terms energy: -144.190233
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -41.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -414.539558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.539558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.539558 (E_RNA)
where:
Base-Base interactions energy: -267.781
where: short stacking energy: -130.217
Base-Backbone interact. energy: 0.874
local terms energy: -147.632772
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -19.781
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: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -403.019046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.019046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.019046 (E_RNA)
where:
Base-Base interactions energy: -264.964
where: short stacking energy: -120.621
Base-Backbone interact. energy: -2.574
local terms energy: -135.481237
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -270.558221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.558221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.558221 (E_RNA)
where:
Base-Base interactions energy: -157.794
where: short stacking energy: -75.234
Base-Backbone interact. energy: -0.182
local terms energy: -112.582873
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -310.433780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.433780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.433780 (E_RNA)
where:
Base-Base interactions energy: -195.632
where: short stacking energy: -86.653
Base-Backbone interact. energy: -0.723
local terms energy: -114.078780
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -27.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -264.194527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.194527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.194527 (E_RNA)
where:
Base-Base interactions energy: -156.017
where: short stacking energy: -80.716
Base-Backbone interact. energy: 0.135
local terms energy: -108.311996
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -153.485603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.485603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.485603 (E_RNA)
where:
Base-Base interactions energy: -59.154
where: short stacking energy: -44.155
Base-Backbone interact. energy: 0.117
local terms energy: -94.449041
where:
bonds (distance) C4'-P energy: -28.841
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -128.510657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.510657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.510657 (E_RNA)
where:
Base-Base interactions energy: -42.009
where: short stacking energy: -42.009
Base-Backbone interact. energy: -0.304
local terms energy: -86.197358
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -495.620091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.620091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.620091 (E_RNA)
where:
Base-Base interactions energy: -344.101
where: short stacking energy: -147.674
Base-Backbone interact. energy: -0.395
local terms energy: -151.124219
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -43.676
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: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -478.783860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.783860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.783860 (E_RNA)
where:
Base-Base interactions energy: -330.914
where: short stacking energy: -141.924
Base-Backbone interact. energy: -0.697
local terms energy: -147.172966
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -30.009
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -44.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -462.310036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.310036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.310036 (E_RNA)
where:
Base-Base interactions energy: -316.916
where: short stacking energy: -137.508
Base-Backbone interact. energy: -0.313
local terms energy: -145.081222
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -39.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -435.613615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.613615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.613615 (E_RNA)
where:
Base-Base interactions energy: -278.674
where: short stacking energy: -135.114
Base-Backbone interact. energy: -0.780
local terms energy: -156.159241
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -40.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -399.190334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.190334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.190334 (E_RNA)
where:
Base-Base interactions energy: -254.595
where: short stacking energy: -125.739
Base-Backbone interact. energy: -0.241
local terms energy: -144.354842
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -22.649
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: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -335.938771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.938771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.938771 (E_RNA)
where:
Base-Base interactions energy: -205.203
where: short stacking energy: -100.863
Base-Backbone interact. energy: -0.288
local terms energy: -130.447947
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -276.270117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.270117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.270117 (E_RNA)
where:
Base-Base interactions energy: -177.671
where: short stacking energy: -79.617
Base-Backbone interact. energy: -1.694
local terms energy: -96.904974
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -273.412932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.412932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.412932 (E_RNA)
where:
Base-Base interactions energy: -168.785
where: short stacking energy: -81.159
Base-Backbone interact. energy: -0.413
local terms energy: -104.214772
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -163.470598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.470598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.470598 (E_RNA)
where:
Base-Base interactions energy: -76.009
where: short stacking energy: -56.336
Base-Backbone interact. energy: -1.885
local terms energy: -85.577016
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -123.000550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.000550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.000550 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.954
local terms energy: -90.935933
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -29.604
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -1.628
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: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -495.390884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.390884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.390884 (E_RNA)
where:
Base-Base interactions energy: -335.206
where: short stacking energy: -143.341
Base-Backbone interact. energy: -1.201
local terms energy: -158.983995
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -39.447
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: 436
Temperature: 0.950000
Total energy: -459.884978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.884978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.884978 (E_RNA)
where:
Base-Base interactions energy: -307.501
where: short stacking energy: -139.686
Base-Backbone interact. energy: -1.156
local terms energy: -151.227637
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -39.675
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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -458.268713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.268713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.268713 (E_RNA)
where:
Base-Base interactions energy: -303.313
where: short stacking energy: -137.223
Base-Backbone interact. energy: -0.598
local terms energy: -154.357348
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -47.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -420.721251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.721251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.721251 (E_RNA)
where:
Base-Base interactions energy: -282.342
where: short stacking energy: -138.168
Base-Backbone interact. energy: -0.119
local terms energy: -138.260629
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -21.734
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: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -389.688548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.688548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.688548 (E_RNA)
where:
Base-Base interactions energy: -256.278
where: short stacking energy: -123.761
Base-Backbone interact. energy: -0.286
local terms energy: -133.124995
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -38.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -341.531326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.531326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.531326 (E_RNA)
where:
Base-Base interactions energy: -220.041
where: short stacking energy: -107.549
Base-Backbone interact. energy: -0.688
local terms energy: -120.802346
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -28.025
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -24.708
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: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -280.805836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.805836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.805836 (E_RNA)
where:
Base-Base interactions energy: -172.814
where: short stacking energy: -71.813
Base-Backbone interact. energy: -1.435
local terms energy: -106.557696
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -245.916018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.916018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.916018 (E_RNA)
where:
Base-Base interactions energy: -138.701
where: short stacking energy: -70.650
Base-Backbone interact. energy: -1.578
local terms energy: -105.637448
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -151.852621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.852621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.852621 (E_RNA)
where:
Base-Base interactions energy: -80.389
where: short stacking energy: -47.061
Base-Backbone interact. energy: 0.237
local terms energy: -71.700762
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -0.285
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: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -141.095606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.095606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.095606 (E_RNA)
where:
Base-Base interactions energy: -49.659
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.509
local terms energy: -90.927491
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -27.457
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -495.699103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.699103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.699103 (E_RNA)
where:
Base-Base interactions energy: -340.363
where: short stacking energy: -145.100
Base-Backbone interact. energy: -1.720
local terms energy: -153.615777
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -27.432
flat angles C4'-P-C4' energy: -29.329
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -42.790
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: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -462.793421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.793421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.793421 (E_RNA)
where:
Base-Base interactions energy: -320.405
where: short stacking energy: -132.904
Base-Backbone interact. energy: -0.441
local terms energy: -141.947433
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -20.051
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: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -453.117567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.117567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.117567 (E_RNA)
where:
Base-Base interactions energy: -310.121
where: short stacking energy: -138.008
Base-Backbone interact. energy: -0.419
local terms energy: -142.577775
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -426.015523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.015523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.015523 (E_RNA)
where:
Base-Base interactions energy: -288.856
where: short stacking energy: -132.469
Base-Backbone interact. energy: -0.266
local terms energy: -136.893861
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -19.316
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: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -351.963716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.963716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.963716 (E_RNA)
where:
Base-Base interactions energy: -212.442
where: short stacking energy: -98.624
Base-Backbone interact. energy: -0.400
local terms energy: -139.121571
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -26.722
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: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -357.269915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.269915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.269915 (E_RNA)
where:
Base-Base interactions energy: -236.221
where: short stacking energy: -113.740
Base-Backbone interact. energy: -0.259
local terms energy: -120.790144
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -23.776
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -25.029
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: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -277.247712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.247712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.247712 (E_RNA)
where:
Base-Base interactions energy: -177.888
where: short stacking energy: -78.970
Base-Backbone interact. energy: 0.246
local terms energy: -99.605915
where:
bonds (distance) C4'-P energy: -26.376
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -11.162
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: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -259.224041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.224041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.224041 (E_RNA)
where:
Base-Base interactions energy: -151.932
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.884
local terms energy: -106.408474
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -142.289454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.289454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.289454 (E_RNA)
where:
Base-Base interactions energy: -73.179
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.345
local terms energy: -68.765008
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -132.784192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.784192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.784192 (E_RNA)
where:
Base-Base interactions energy: -56.609
where: short stacking energy: -46.393
Base-Backbone interact. energy: -2.002
local terms energy: -74.173638
where:
bonds (distance) C4'-P energy: -28.213
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -0.871
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -479.090751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.090751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.090751 (E_RNA)
where:
Base-Base interactions energy: -339.249
where: short stacking energy: -133.633
Base-Backbone interact. energy: -0.510
local terms energy: -139.330981
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -34.819
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: 438
Temperature: 0.950000
Total energy: -465.277239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.277239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.277239 (E_RNA)
where:
Base-Base interactions energy: -313.299
where: short stacking energy: -136.874
Base-Backbone interact. energy: 0.102
local terms energy: -152.080070
where:
bonds (distance) C4'-P energy: -31.913
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -41.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -473.374441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.374441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.374441 (E_RNA)
where:
Base-Base interactions energy: -322.232
where: short stacking energy: -137.679
Base-Backbone interact. energy: -0.724
local terms energy: -150.418693
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -31.431
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -39.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -414.903367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.903367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.903367 (E_RNA)
where:
Base-Base interactions energy: -270.835
where: short stacking energy: -130.420
Base-Backbone interact. energy: -0.516
local terms energy: -143.552269
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -38.207
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: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -365.417360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.417360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.417360 (E_RNA)
where:
Base-Base interactions energy: -231.935
where: short stacking energy: -113.233
Base-Backbone interact. energy: -0.662
local terms energy: -132.820018
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -29.398
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: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -338.585611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.585611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.585611 (E_RNA)
where:
Base-Base interactions energy: -211.401
where: short stacking energy: -110.531
Base-Backbone interact. energy: -0.747
local terms energy: -126.437349
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -25.651
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: 438
Temperature: 1.200000
Total energy: -295.025942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.025942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.025942 (E_RNA)
where:
Base-Base interactions energy: -181.709
where: short stacking energy: -94.494
Base-Backbone interact. energy: 2.878
local terms energy: -116.194657
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -20.265
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -284.888252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.888252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.888252 (E_RNA)
where:
Base-Base interactions energy: -164.901
where: short stacking energy: -89.197
Base-Backbone interact. energy: 0.053
local terms energy: -120.040413
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -27.357
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -138.663237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.663237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.663237 (E_RNA)
where:
Base-Base interactions energy: -54.701
where: short stacking energy: -38.009
Base-Backbone interact. energy: 1.005
local terms energy: -84.967479
where:
bonds (distance) C4'-P energy: -26.332
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: 1.552
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: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -133.711261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.711261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.711261 (E_RNA)
where:
Base-Base interactions energy: -56.355
where: short stacking energy: -49.110
Base-Backbone interact. energy: 0.438
local terms energy: -77.794135
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -489.369581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.369581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.369581 (E_RNA)
where:
Base-Base interactions energy: -332.326
where: short stacking energy: -139.928
Base-Backbone interact. energy: -0.268
local terms energy: -156.775087
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -34.635
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -42.188
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: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -478.368837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.368837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.368837 (E_RNA)
where:
Base-Base interactions energy: -320.356
where: short stacking energy: -137.977
Base-Backbone interact. energy: -0.966
local terms energy: -157.046262
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -453.576940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.576940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.576940 (E_RNA)
where:
Base-Base interactions energy: -301.560
where: short stacking energy: -131.910
Base-Backbone interact. energy: -0.251
local terms energy: -151.765992
where:
bonds (distance) C4'-P energy: -33.204
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -42.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -430.615517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.615517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.615517 (E_RNA)
where:
Base-Base interactions energy: -290.622
where: short stacking energy: -134.257
Base-Backbone interact. energy: -0.971
local terms energy: -139.022329
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -29.926
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -378.499102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.499102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.499102 (E_RNA)
where:
Base-Base interactions energy: -248.634
where: short stacking energy: -107.917
Base-Backbone interact. energy: -0.193
local terms energy: -129.672022
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -32.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -314.029696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.029696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.029696 (E_RNA)
where:
Base-Base interactions energy: -192.331
where: short stacking energy: -97.860
Base-Backbone interact. energy: -0.303
local terms energy: -121.395189
where:
bonds (distance) C4'-P energy: -26.795
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -341.567136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.567136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.567136 (E_RNA)
where:
Base-Base interactions energy: -212.838
where: short stacking energy: -108.932
Base-Backbone interact. energy: -0.233
local terms energy: -128.495977
where:
bonds (distance) C4'-P energy: -28.172
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -29.781
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: 439
Temperature: 1.250000
Total energy: -281.654761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.654761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.654761 (E_RNA)
where:
Base-Base interactions energy: -178.468
where: short stacking energy: -81.401
Base-Backbone interact. energy: -0.254
local terms energy: -102.932732
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -21.449
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: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -145.311055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.311055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.311055 (E_RNA)
where:
Base-Base interactions energy: -65.714
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.365
local terms energy: -79.232513
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -142.249603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.249603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.249603 (E_RNA)
where:
Base-Base interactions energy: -54.259
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.422
local terms energy: -87.567810
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/6hag-ed199df1_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE